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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 22 results

Search term: PULWZCUZNRVAHT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24608536

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.6738161300
57256856

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67388600
21243501

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67385300
84393825

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29+,30+,31-/m1/s1
C31H43NO10589.67384400
2300844

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17+,18-,19+,20?,21-,22+,23?,24-,25+,26-,28-,29-,30?,31+/m0/s1
C31H43NO10589.6738199999983200
8070404

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20-,21+,22-,23?,24+,25-,26+,28+,29+,30+,31-/m1/s1
C31H43NO10589.67382100
31117976

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20-,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67382200
64849550

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22?,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67382300
64854593

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17+,18-,19+,20+,21-,22+,23?,24-,25+,26-,28-,29-,30-,31+/m0/s1
C31H43NO10589.67381200
82966191

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18?,19-,20?,21+,22-,23-,24+,25-,26+,28+,29+,30+,31-/m1/s1
C31H43NO10589.67381200
58828040

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16?,17-,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29?,30+,31-/m1/s1
C31H43NO10589.67381100
60599304

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22+,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67381100
110804177

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17?,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29?,30+,31-/m1/s1
C31H43NO10589.67381100
110806334

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20?,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1
C31H43NO10589.67381100
113611516

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18-,19+,20?,21+,22-,23+,24+,25-,26-,28-,29-,30+,31-/m1/s1
C31H43NO10589.67381100
114391976

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17+,18+,19-,20-,21-,22-,23+,24-,25+,26-,28-,29-,30+,31-/m1/s1
C31H43NO10589.67381100
114725060

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17?,18+,19-,20-,21+,22-,23?,24+,25-,26+,28+,29?,30+,31-/m1/s1
C31H43NO10589.67381100
114816641

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17+,18-,19+,20-,21-,22-,23?,24+,25-,26-,28-,29+,30-,31+/m0/s1
C31H43NO10589.67381100
127383347

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17+,18+,19+,20+,21+,22+,23?,24+,25-,26-,28+,29?,30-,31+/m1/s1
C31H43NO10589.67381100
129308899

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,28+,29?,30+,31-/m1/s1
C31H43NO10589.67381100
12

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