(phenylmethyl) 2-ethanoyl-7-methyl-octanoate

Systemtic Name: (phenylmethyl) 2-ethanoyl-7-methyl-octanoate Openeye Name: benzyl 2-acetyl-7-methyl-octanoate CAS Name: 2-acetyl-7-methyloctanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-7-methyloctanoate Traditional Name: 2-acetyl-7-methyl-caprylic acid benzyl ester Formula: C18H26O3 MolecularWeight: 290.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O3/c1-14(2)9-7-8-12-17(15(3)19)18(20)21-13-16-10-5-4-6-11-16/h4-6,10-11,14,17H,7-9,12-13H2,1-3H3