5-[6-[2,3-bis(oxidanyl)phenyl]hexyl]-3-octadecoxy-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-[6-[2,3-bis(oxidanyl)phenyl]hexyl]-3-octadecoxy-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-[6-(2,3-dihydroxyphenyl)hexyl]-3-octadecoxy-6-oxo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-[6-(2,3-dihydroxyphenyl)hexyl]-3-octadecoxy-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-[6-(2,3-dihydroxyphenyl)hexyl]-3-octadecoxy-6-oxocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-[6-(2,3-dihydroxyphenyl)hexyl]-6-keto-3-stearyloxy-cyclohexa-1,3-diene-1-carboxylic acid Formula: C37H58O6 MolecularWeight: 598.85282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(C(=O)C(=C1)C(=O)O)CCCCCCC2=C(C(=CC=C2)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(C(=O)C(=C1)C(=O)O)CCCCCCC2=C(C(=CC=C2)O)O

InChI

InChI=1S/C37H58O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-43-32-28-31(35(39)33(29-32)37(41)42)24-20-17-16-19-23-30-25-22-26-34(38)36(30)40/h22,25-26,28-29,31,38,40H,2-21,23-24,27H2,1H3,(H,41,42)