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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 16 results

Search term: CLDVMRAEPFQOSD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445243

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18?,20+,21+/m0/s1
C21H22N2O2334.41158191600
107562594

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-
C21H22N2O2334.41166500
3688584

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3
C21H22N2O2334.411584300
62903538

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18-,20+,21+/m0/s1
C21H22N2O2334.41164400
4946736

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13?,16-,17-,18?,20+,21?/m0/s1
C21H22N2O2334.41163300
58829683

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16+,17+,18?,20-,21?/m1/s1
C21H22N2O2334.41163300
107562752

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18?,20?,21+/m0/s1
C21H22N2O2334.41162100
24785749

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3+
C21H22N2O2334.41162200
71060623

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13?,16-,17-,18?,20+,21+/m0/s1
C21H22N2O2334.41162200
82965654

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/t13-,16-,17-,18?,20+,21+/m1/s1
C21H22N2O2334.41161100
95533468

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13?,16-,17?,18?,20?,21+/m0/s1
C21H22N2O2334.41161100
58802110

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18-,20+,21?/m0/s1
C21H22N2O2334.41161100
111307984

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18?,20+,21+/m1/s1
C21H22N2O2334.41161100
113611124

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/t13-,16+,17+,18?,20+,21-/m1/s1
C21H22N2O2334.41161100
127383227

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/t13-,16?,17-,18+,20+,21+/m0/s1
C21H22N2O2334.41161100

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