O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate; dioctyl hexanedioate

Systemtic Name: O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate; dioctyl hexanedioate Openeye Name: O2-benzyl O1-butyl benzene-1,2-dicarboxylate; dioctyl hexanedioate CAS Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(phenylmethyl) ester; hexanedioic acid dioctyl ester IUPAC Name: 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate; dioctyl hexanedioate Traditional Name: adipic acid dioctyl ester; benzene-1,2-dicarboxylic acid O2-benzyl ester O1-butyl ester Formula: C41H62O8 MolecularWeight: 682.92618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC.CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC.CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H42O4.C19H20O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2;1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h3-20H2,1-2H3;4-12H,2-3,13-14H2,1H3