[5-(2-methyloctan-2-yl)-2-(3-oxidanylidenebutyl)phenyl] ethanoate

Systemtic Name: [5-(2-methyloctan-2-yl)-2-(3-oxidanylidenebutyl)phenyl] ethanoate Openeye Name: [5-(1,1-dimethylheptyl)-2-(3-oxobutyl)phenyl] acetate CAS Name: acetic acid [5-(2-methyloctan-2-yl)-2-(3-oxobutyl)phenyl] ester IUPAC Name: [5-(2-methyloctan-2-yl)-2-(3-oxobutyl)phenyl] acetate Traditional Name: acetic acid [5-(1,1-dimethylheptyl)-2-(3-ketobutyl)phenyl] ester Formula: C21H32O3 MolecularWeight: 332.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-6-7-8-9-14-21(4,5)19-13-12-18(11-10-16(2)22)20(15-19)24-17(3)23/h12-13,15H,6-11,14H2,1-5H3