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 2 results

Search term: OUICDHFBMJCDTL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57620896

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C36H60O10/c1-17(13-20(39)30-33(4,5)46-30)18-9-12-35(7)25(18)19(38)14-23-34(6)11-10-24(40)32(2,3)29(34)21(15-36(23,35)8)44-31-28(43)27(42)26(41)22(16-37)45-31/h13,18-31,37-43H,9-12,14-16H2,1-8H3/b17-13+/t18-,19-,20?,21+,22-,23-,24+,25+,26-,27+,28-,29+,30?,31-,34-,35-,36-/m1/s1
C36H60O10652.85565200
82965750

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C36H60O10/c1-17(13-20(39)30-33(4,5)46-30)18-9-12-35(7)25(18)19(38)14-23-34(6)11-10-24(40)32(2,3)29(34)21(15-36(23,35)8)44-31-28(43)27(42)26(41)22(16-37)45-31/h13,18-31,37-43H,9-12,14-16H2,1-8H3/b17-13+/t18-,19-,20?,21+,22-,23-,24+,25+,26-,27+,28-,29+,30?,31-,34-,35-,36-/m0/s1
C36H60O10652.85561100

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