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 5 results

Search term: KTGGCSVZUGUIFS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29212355

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,24-,25+,26-,27-,28-,29+/m0/s1
C29H52O416.72263300
29216623

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19?,20-,21?,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1
C29H52O416.72262200
29212354

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
C29H52O416.72262200
24823299

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20?,21-,22?,23+,24?,25-,26?,27?,28+,29-/m1/s1
C29H52O416.72261100
24823304

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20?,21+,22?,23-,24?,25+,26?,27?,28-,29+/m0/s1
C29H52O416.72261100

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