Matches any text strings used to describe a molecule.
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: CQRHDJNAPDZBCN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
133006

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,17-,18+,19-,20-,21-/m0/s1
C21H36O4352.50819800
29367560

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,17+,18+,19-,20-,21-/m0/s1
C21H36O4352.50819700
3461131

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3
C21H36O4352.508146300
224081

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12?,13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
C21H36O4352.50813300
849771

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17-,18-,19+,20+,21+/m0/s1
C21H36O4352.50812100
57564688

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
C21H36O4352.50812100
62299592

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
C21H36O4352.50812200
62299599

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21+/m0/s1
C21H36O4352.50812200
62299612

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17+,18+,19-,20-,21-/m1/s1
C21H36O4352.50812200
62578995

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1
C21H36O4352.50812200
62578996

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18+,19+,20+,21+/m1/s1
C21H36O4352.50812200
107443741

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21+/m1/s1
C21H36O4352.50811300
107443744

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14-,15-,16+,17-,18+,19-,20-,21-/m0/s1
C21H36O4352.50811300
58784885

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,17?,18+,19-,20-,21-/m0/s1
C21H36O4352.50811100

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