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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: OBUIQEYZGMZXPJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8113479

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,22+,23+,24+,26-,27-,29-,30-,31+/m1/s1
C31H51NO8565.7385111000
16736759

Double-bond stereo

4 of 11 defined stereocentres - 4/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19?,20?,21-,22?,23?,24+,26?,27?,29-,30?,31+/m1/s1
C31H51NO8565.73854530
4939441

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10+,18-14+
C31H51NO8565.73854400
52085877

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10-,18-14-/t19-,20+,21-,22+,23+,24+,26-,27-,29-,30-,31+/m1/s1
C31H51NO8565.73853300
64854398

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10+,18-14?/t19-,20+,21-,22+,23+,24+,26-,27-,29-,30-,31+/m1/s1
C31H51NO8565.73853400
8613324

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,22+,23-,24-,26-,27-,29-,30-,31?/m1/s1
C31H51NO8565.73852100
57261181

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10-,18-14-/t19-,20+,21-,22-,23+,24+,26-,27-,29-,30-,31+/m1/s1
C31H51NO8565.73852100
58172735

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10?,18-14+/t19?,20-,21+,22-,23-,24-,26+,27+,29+,30+,31-/m0/s1
C31H51NO8565.73851100
24839890

Double-bond stereo

4 of 11 defined stereocentres - 4/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10u,18-14+/t19?,20?,21-,22?,23?,24+,26?,27?,29-,30?,31+/m1/s1
C31H51NO8565.73851100
65321835

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10-,18-14+/t19-,20+,21-,22+,23+,24+,26-,27-,29-,30-,31+/m1/s1
C31H51NO8565.73851100
88298266

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10?,18-14+/t19-,20+,21-,22+,23+,24+,26-,27-,29-,30-,31+/m1/s1
C31H51NO8565.73851100
110803716

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C31H51NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,22+,23?,24+,26-,27-,29-,30-,31+/m1/s1
C31H51NO8565.73851100

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