phenyl 5-octanoyl-2-oxidanyl-benzoate

Systemtic Name: phenyl 5-octanoyl-2-oxidanyl-benzoate Openeye Name: phenyl 2-hydroxy-5-octanoyl-benzoate CAS Name: 2-hydroxy-5-(1-oxooctyl)benzoic acid phenyl ester IUPAC Name: phenyl 2-hydroxy-5-octanoylbenzoate Traditional Name: 5-caprylyl-2-hydroxy-benzoic acid phenyl ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H24O4/c1-2-3-4-5-9-12-19(22)16-13-14-20(23)18(15-16)21(24)25-17-10-7-6-8-11-17/h6-8,10-11,13-15,23H,2-5,9,12H2,1H3