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 3 results

Search term: LJDJHYHISCPTMX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17462634

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C32H44N2O3/c1-2-3-8-19-29(35)24-22-26-23-25-31(36)30(26)20-13-4-5-14-21-32(37)33-34(27-15-9-6-10-16-27)28-17-11-7-12-18-28/h6-7,9-12,15-18,22,24,26,29-30,35H,2-5,8,13-14,19-21,23,25H2,1H3,(H,33,37)/b24-22+/t26-,29+,30+/m0/s1
C32H44N2O3504.703411900
2981158

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C32H44N2O3/c1-2-3-8-19-29(35)24-22-26-23-25-31(36)30(26)20-13-4-5-14-21-32(37)33-34(27-15-9-6-10-16-27)28-17-11-7-12-18-28/h6-7,9-12,15-18,22,24,26,29-30,35H,2-5,8,13-14,19-21,23,25H2,1H3,(H,33,37)
C32H44N2O3504.703362100
35312155

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C32H44N2O3/c1-2-3-8-19-29(35)24-22-26-23-25-31(36)30(26)20-13-4-5-14-21-32(37)33-34(27-15-9-6-10-16-27)28-17-11-7-12-18-28/h6-7,9-12,15-18,22,24,26,29-30,35H,2-5,8,13-14,19-21,23,25H2,1H3,(H,33,37)/t26-,29+,30+/m0/s1
C32H44N2O3504.70341100

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