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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 14 results

Search term: BDXYPHKGNUGUFG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24534089

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19-,20-/m0/s1
C20H22N2O3338.4003191500
10258955

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17?,19-,20-/m0/s1
C20H22N2O3338.40037800
34966883

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15+,16+,17?,19+,20+/m1/s1
C20H22N2O3338.40035200
115284762

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17+,19-,20-/m0/s1
C20H22N2O3338.40033300
113061936

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19+,20+/m0/s1
C20H22N2O3338.40032200
57576623

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/t12-,15-,16-,17-,19-,20-/m0/s1
C20H22N2O3338.40032100
82964466

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/t12-,15+,16+,17?,19?,20+/m0/s1
C20H22N2O3338.40032200
95533436

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12?,15-,16?,17?,19-,20-/m0/s1
C20H22N2O3338.40031100
19993898

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15+,16+,17?,19?,20+/m1/s1
C20H22N2O3338.40031100
75580829

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16+,17-,19-,20?/m0/s1
C20H22N2O3338.40031100
113611587

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12?,15-,16-,17?,19?,20-/m1/s1
C20H22N2O3338.40031100
114392183

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17+,19-,20+/m0/s1
C20H22N2O3338.40031100
114642589

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16+,17+,19-,20+/m0/s1
C20H22N2O3338.40031100
114814729

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16+,17-,19-,20+/m0/s1
C20H22N2O3338.40031100

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