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: TWCMTRCNZDNRCJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7822871

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-/t43-/m0/s1
C45H76O5697.08198900
59697549

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,43,46H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-42H2,1-2H3/b7-5+,13-11+,19-17+,20-18+,24-22+,30-28+/t43-/m0/s1
C45H76O5697.08191100

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