(phenylmethyl) 7-(4-tert-butylphenoxy)-2-oxidanylidene-heptanoate

Systemtic Name: (phenylmethyl) 7-(4-tert-butylphenoxy)-2-oxidanylidene-heptanoate Openeye Name: benzyl 7-(4-tert-butylphenoxy)-2-oxo-heptanoate CAS Name: 7-(4-tert-butylphenoxy)-2-oxoheptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(4-tert-butylphenoxy)-2-oxoheptanoate Traditional Name: 7-(4-tert-butylphenoxy)-2-keto-enanthic acid benzyl ester Formula: C24H30O4 MolecularWeight: 382.4926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCCCC(=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCCCC(=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H30O4/c1-24(2,3)20-13-15-21(16-14-20)27-17-9-5-8-12-22(25)23(26)28-18-19-10-6-4-7-11-19/h4,6-7,10-11,13-16H,5,8-9,12,17-18H2,1-3H3