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 6 results

Search term: CGDORVAPKNIQBV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4437397

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C29H50O5/c1-7-19(16(2)3)26(33)25(32)17(4)21-8-9-22-20-14-24(31)29(34)15-18(30)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-23,25-26,30,32-34H,7-15H2,1-6H3/t17-,18-,19-,20?,21+,22?,23?,25-,26-,27+,28+,29-/m0/s1
C29H50O5478.7043000000013200
8871375

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H50O5/c1-7-19(16(2)3)26(33)25(32)17(4)21-8-9-22-20-14-24(31)29(34)15-18(30)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-23,25-26,30,32-34H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,25+,26+,27+,28+,29-/m0/s1
C29H50O5478.70433200
23301131

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H50O5/c1-7-19(16(2)3)26(33)25(32)17(4)21-8-9-22-20-14-24(31)29(34)15-18(30)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-23,25-26,30,32-34H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,25-,26-,27+,28+,29-/m0/s1
C29H50O5478.70433300
4437396

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C29H50O5/c1-7-19(16(2)3)26(33)25(32)17(4)21-8-9-22-20-14-24(31)29(34)15-18(30)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-23,25-26,30,32-34H,7-15H2,1-6H3/t17-,18-,19-,20?,21+,22?,23?,25+,26+,27+,28+,29-/m0/s1
C29H50O5478.7043000000012200
8894795

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H50O5/c1-7-19(16(2)3)26(33)25(32)17(4)21-8-9-22-20-14-24(31)29(34)15-18(30)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-23,25-26,30,32-34H,7-15H2,1-6H3/t17-,18+,19-,20-,21+,22-,23-,25+,26+,27+,28+,29-/m0/s1
C29H50O5478.70432100
21376472

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C29H50O5/c1-7-19(16(2)3)26(33)25(32)17(4)21-8-9-22-20-14-24(31)29(34)15-18(30)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-23,25-26,30,32-34H,7-15H2,1-6H3/t17-,18?,19-,20-,21+,22-,23-,25?,26?,27+,28+,29?/m0/s1
C29H50O5478.70431100

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