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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 17 results

Search term: ZHTRILQJTPJGNK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8024943

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1
C22H26N2O6S3510.64669900
58122107

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4+,7-5-,13-10+/t14-,17-,21+,22-,33?/m1/s1
C22H26N2O6S3510.64665500
4829019

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5-,13-10-
C22H26N2O6S3510.64665400
8068231

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33+/m1/s1
C22H26N2O6S3510.64663200
24623618

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17+,21-,22+,33?/m0/s1
C22H26N2O6S3510.64662200
5143990

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/t14-,17-,21+,22-,33?/m1/s1
C22H26N2O6S3510.64662100
114429

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)
C22H26N2O6S3510.64662100
62874748

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5-,13-10-/t14-,17-,21+,22-,33+/m1/s1
C22H26N2O6S3510.64662100
65321410

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17?,21+,22-,33?/m1/s1
C22H26N2O6S3510.64661100
65793651

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4+,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1
C22H26N2O6S3510.64661800
79715587

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5-,13-10-/t14-,17+,21-,22+,33-/m0/s1
C22H26N2O6S3510.64661100
129307110

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4?,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1
C22H26N2O6S3510.64661100
4573027

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5-,13-10u/t14-,17-,21+,22+,33?/m1/s1
C22H26N2O6S3510.64661100
58139449

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4+,7-5-,13-10+/t14-,17+,21-,22+,33?/m0/s1
C22H26N2O6S3510.64661100

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