O1-octyl O6-(phenylmethyl) hexanedioate

Systemtic Name: O1-octyl O6-(phenylmethyl) hexanedioate Openeye Name: O6-benzyl O1-octyl hexanedioate CAS Name: hexanedioic acid O1-octyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-octyl hexanedioate Traditional Name: adipic acid O6-benzyl ester O1-octyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCOC(=O)CCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3