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: BCJLQRJLEJBGFM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8614259

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C39H54O6/c1-34(2)19-21-39(33(43)44)22-20-37(5)27(28(39)23-34)12-13-30-35(3)17-16-31(36(4,24-40)29(35)15-18-38(30,37)6)45-32(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,28-31,40-41H,13,15-24H2,1-6H3,(H,43,44)/b14-9-/t28?,29?,30?,31-,35-,36-,37+,38+,39-/m0/s1
C39H54O6618.84252100
10229182

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H54O6/c1-34(2)19-21-39(33(43)44)22-20-37(5)27(28(39)23-34)12-13-30-35(3)17-16-31(36(4,24-40)29(35)15-18-38(30,37)6)45-32(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,28-31,40-41H,13,15-24H2,1-6H3,(H,43,44)/b14-9-/t28-,29+,30+,31-,35-,36-,37+,38+,39-/m0/s1
C39H54O6618.84252200

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