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: HBWSKQPCLCKZPV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7852623

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C27H35NO9/c1-14(29)34-12-21(31)20-7-6-19-18-5-4-16-10-17(28-35-13-23(32)33)8-9-26(16,3)24(18)22-11-27(19,20)25(37-22)36-15(2)30/h10,18-20,22,24-25H,4-9,11-13H2,1-3H3,(H,32,33)/b28-17-/t18-,19-,20+,22-,24+,25?,26-,27?/m0/s1
C27H35NO9517.56813300
20158170

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H35NO9/c1-14(29)34-12-21(31)20-7-6-19-18-5-4-16-10-17(28-35-13-23(32)33)8-9-26(16,3)24(18)22-11-27(19,20)25(37-22)36-15(2)30/h10,18-20,22,24-25H,4-9,11-13H2,1-3H3,(H,32,33)/b28-17-/t18-,19-,20+,22-,24+,25?,26-,27+/m0/s1
C27H35NO9517.56811100

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