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

Systemtic Name: (phenylmethyl) 2,4-bis(oxidanyl)-6-(2-oxidanylideneheptyl)benzoate Openeye Name: benzyl 2,4-dihydroxy-6-(2-oxoheptyl)benzoate CAS Name: 2,4-dihydroxy-6-(2-oxoheptyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,4-dihydroxy-6-(2-oxoheptyl)benzoate Traditional Name: 2,4-dihydroxy-6-(2-ketoheptyl)benzoic acid benzyl ester Formula: C21H24O5 MolecularWeight: 356.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCC(=O)CC1=CC(=CC(=C1C(=O)OCC2=CC=CC=C2)O)O

InChI

InChI=1S/C21H24O5/c1-2-3-5-10-17(22)11-16-12-18(23)13-19(24)20(16)21(25)26-14-15-8-6-4-7-9-15/h4,6-9,12-13,23-24H,2-3,5,10-11,14H2,1H3