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 8 results

Search term: DMAXEADUOQCSHM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21474589

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3/t18?,19?,20?,21?,22?,24?,25?,26?,27-/m0/s1
C27H40O5444.60354200
3226654

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3
C27H40O5444.603531500
5036903

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3/t18-,19-,20-,21+,22-,24-,25-,26-,27+/m1/s1
C27H40O5444.60353300
10044683

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3/t18-,19+,20+,21-,22+,24+,25-,26+,27+/m1/s1
C27H40O5444.60352100
10044684

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3/t18-,19+,20+,21-,22+,24+,25-,26-,27+/m1/s1
C27H40O5444.60352100
10044685

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3/t18-,19-,20-,21+,22-,24-,25+,26-,27-/m0/s1
C27H40O5444.60352100
10044686

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3/t18-,19-,20-,21+,22-,24-,25+,26+,27-/m0/s1
C27H40O5444.60352100
29400047

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C27H40O5/c1-16(28)26-10-6-5-7-18(26)13-22-20-14-23(30)27(31)15-19(32-17(2)29)8-11-25(27,4)21(20)9-12-24(22,26)3/h18-22,31H,5-15H2,1-4H3/t18?,19?,20-,21+,22+,24?,25?,26?,27+/m1/s1
C27H40O5444.60351100

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