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 7 results

Search term: DOTQRQYPYYYGJF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8848200

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H50O6/c1-7-17(15(2)3)26(34)25(33)16(4)19-8-9-20-18-12-24(32)29(35)14-23(31)22(30)13-28(29,6)21(18)10-11-27(19,20)5/h15-23,25-26,30-31,33-35H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,25+,26+,27+,28+,29-/m0/s1
C29H50O6494.70373200
9014232

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H50O6/c1-7-17(15(2)3)26(34)25(33)16(4)19-8-9-20-18-12-24(32)29(35)14-23(31)22(30)13-28(29,6)21(18)10-11-27(19,20)5/h15-23,25-26,30-31,33-35H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,25-,26-,27+,28+,29-/m0/s1
C29H50O6494.70373200
8871891

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H50O6/c1-7-17(15(2)3)26(34)25(33)16(4)19-8-9-20-18-12-24(32)29(35)14-23(31)22(30)13-28(29,6)21(18)10-11-27(19,20)5/h15-23,25-26,30-31,33-35H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,23+,25-,26-,27+,28+,29+/m0/s1
C29H50O6494.70372100
8895358

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H50O6/c1-7-17(15(2)3)26(34)25(33)16(4)19-8-9-20-18-12-24(32)29(35)14-23(31)22(30)13-28(29,6)21(18)10-11-27(19,20)5/h15-23,25-26,30-31,33-35H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,23+,25+,26+,27+,28+,29-/m0/s1
C29H50O6494.70372100
4437383

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C29H50O6/c1-7-17(15(2)3)26(34)25(33)16(4)19-8-9-20-18-12-24(32)29(35)14-23(31)22(30)13-28(29,6)21(18)10-11-27(19,20)5/h15-23,25-26,30-31,33-35H,7-14H2,1-6H3/t16-,17-,18?,19+,20?,21?,22-,23-,25+,26+,27+,28+,29-/m0/s1
C29H50O6494.7037000000012200
4437384

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C29H50O6/c1-7-17(15(2)3)26(34)25(33)16(4)19-8-9-20-18-12-24(32)29(35)14-23(31)22(30)13-28(29,6)21(18)10-11-27(19,20)5/h15-23,25-26,30-31,33-35H,7-14H2,1-6H3/t16-,17-,18?,19+,20?,21?,22-,23-,25-,26-,27+,28+,29-/m0/s1
C29H50O6494.7037000000012200
8680775

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H50O6/c1-7-17(15(2)3)26(34)25(33)16(4)19-8-9-20-18-12-24(32)29(35)14-23(31)22(30)13-28(29,6)21(18)10-11-27(19,20)5/h15-23,25-26,30-31,33-35H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,23+,25+,26+,27+,28+,29+/m0/s1
C29H50O6494.70372100

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