(phenylmethyl) 2-heptyl-4,6-bis(oxidanyl)benzoate

Systemtic Name: (phenylmethyl) 2-heptyl-4,6-bis(oxidanyl)benzoate Openeye Name: benzyl 2-heptyl-4,6-dihydroxy-benzoate CAS Name: 2-heptyl-4,6-dihydroxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-heptyl-4,6-dihydroxybenzoate Traditional Name: 2-heptyl-4,6-dihydroxy-benzoic acid benzyl ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCCCC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)O)O

InChI

InChI=1S/C21H26O4/c1-2-3-4-5-9-12-17-13-18(22)14-19(23)20(17)21(24)25-15-16-10-7-6-8-11-16/h6-8,10-11,13-14,22-23H,2-5,9,12,15H2,1H3