methyl 5-methyl-6-oxidanylidene-7-phenyl-octanoate

Systemtic Name: methyl 5-methyl-6-oxidanylidene-7-phenyl-octanoate Openeye Name: methyl 5-methyl-6-oxo-7-phenyl-octanoate CAS Name: 5-methyl-6-oxo-7-phenyloctanoic acid methyl ester IUPAC Name: methyl 5-methyl-6-oxo-7-phenyloctanoate Traditional Name: 6-keto-5-methyl-7-phenyl-caprylic acid methyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)OC)C(=O)C(C)C1=CC=CC=C1

Isomeric SMILES

CC(CCCC(=O)OC)C(=O)C(C)C1=CC=CC=C1

InChI

InChI=1S/C16H22O3/c1-12(8-7-11-15(17)19-3)16(18)13(2)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3