methyl 3-oxidanylidene-2-phenethyl-octanoate

Systemtic Name: methyl 3-oxidanylidene-2-phenethyl-octanoate Openeye Name: methyl 3-oxo-2-phenethyl-octanoate CAS Name: 3-oxo-2-phenethyloctanoic acid methyl ester IUPAC Name: methyl 3-oxo-2-phenethyloctanoate Traditional Name: 3-keto-2-phenethyl-caprylic acid methyl ester Formula: C17H24O3 MolecularWeight: 276.37066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCC(=O)C(CCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C17H24O3/c1-3-4-6-11-16(18)15(17(19)20-2)13-12-14-9-7-5-8-10-14/h5,7-10,15H,3-4,6,11-13H2,1-2H3