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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 13 results

Search term: WGUJDBLMJBJUQU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4941980

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
C31H51NO10597.7373141300
57260984

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9-,17-13-/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
C31H51NO10597.73734400
23267421

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22?,24-,25-,27+,28-,29-,30-,31+/m1/s1
C31H51NO10597.73732200
4445270

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25+,27+,28-,29-,30-,31+/m1/s1
C31H51NO10597.7373399999982200
128764396

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13?/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
C31H51NO10597.73732200
30786079

Charge

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/p+1/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
C31H52NO10598.74471100
58145345

Charge

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/p+1/b10-9-,17-13-/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
C31H52NO10598.74471200
58791782

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20+,21+,22-,24-,25-,27+,28-,29+,30-,31?/m1/s1
C31H51NO10597.73731100
65323050

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9?,17-13-/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
C31H51NO10597.73731100
67494989

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21-,22-,24-,25-,27-,28-,29-,30-,31+/m1/s1
C31H51NO10597.73731100
78315940

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9?,17-13+/t18-,19+,20-,21+,22-,24-,25+,27+,28-,29-,30-,31+/m1/s1
C31H51NO10597.73731100

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