(phenylmethyl) 2,2-dimethyloctanoate

Systemtic Name: (phenylmethyl) 2,2-dimethyloctanoate Openeye Name: benzyl 2,2-dimethyloctanoate CAS Name: 2,2-dimethyloctanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,2-dimethyloctanoate Traditional Name: 2,2-dimethylcaprylic acid benzyl ester Formula: C17H26O2 MolecularWeight: 262.38714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C)(C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H26O2/c1-4-5-6-10-13-17(2,3)16(18)19-14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3