[1-[2-(2-methyloctan-2-yl)phenyl]-3-oxidanylidene-butyl] ethanoate

Systemtic Name: [1-[2-(2-methyloctan-2-yl)phenyl]-3-oxidanylidene-butyl] ethanoate Openeye Name: [1-[2-(1,1-dimethylheptyl)phenyl]-3-oxo-butyl] acetate CAS Name: acetic acid [1-[2-(2-methyloctan-2-yl)phenyl]-3-oxobutyl] ester IUPAC Name: [1-[2-(2-methyloctan-2-yl)phenyl]-3-oxobutyl] acetate Traditional Name: acetic acid [1-[2-(1,1-dimethylheptyl)phenyl]-3-keto-butyl] ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC=CC=C1C(CC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC=CC=C1C(CC(=O)C)OC(=O)C

InChI

InChI=1S/C21H32O3/c1-6-7-8-11-14-21(4,5)19-13-10-9-12-18(19)20(15-16(2)22)24-17(3)23/h9-10,12-13,20H,6-8,11,14-15H2,1-5H3