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: OGCQKMJALQHROV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9492296

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22+,23-,25+,28+,29-,30-,31+/m1/s1
C31H48O3468.711141204
540217

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3
C31H48O3468.7113400
82965436

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22?,23?,25+,28+,29-,30-,31+/m0/s1
C31H48O3468.7112200
23148618

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22+,23-,25?,28+,29-,30-,31?/m1/s1
C31H48O3468.7112200
30650847

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22?,23?,25?,28+,29-,30-,31+/m1/s1
C31H48O3468.7111100

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