O1-butyl O6-(phenylmethyl) hexanedioate

Systemtic Name: O1-butyl O6-(phenylmethyl) hexanedioate Openeye Name: O6-benzyl O1-butyl hexanedioate CAS Name: hexanedioic acid O1-butyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-butyl hexanedioate Traditional Name: adipic acid O6-benzyl ester O1-butyl ester Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4/c1-2-3-13-20-16(18)11-7-8-12-17(19)21-14-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14H2,1H3