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
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Found 3 results

Search term: AWIUIZBTCDJMSM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768321

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25-,28-26-/t51-/m1/s1
C54H100O6845.36825400
59683998

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25-,28-26-/t51-/m0/s1
C54H100O6845.36823400
59699904

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,51H,4-24,29-50H2,1-3H3/b27-25+,28-26+/t51-/m1/s1
C54H100O6845.36821100

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