(1-butoxy-1-oxidanylidene-propan-2-yl) 4-(4-octoxyphenyl)benzoate

Systemtic Name: (1-butoxy-1-oxidanylidene-propan-2-yl) 4-(4-octoxyphenyl)benzoate Openeye Name: (2-butoxy-1-methyl-2-oxo-ethyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid (1-butoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-butoxy-1-oxopropan-2-yl) 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (2-butoxy-2-keto-1-methyl-ethyl) ester Formula: C28H38O5 MolecularWeight: 454.59832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)OCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)OCCCC

InChI

InChI=1S/C28H38O5/c1-4-6-8-9-10-11-21-31-26-18-16-24(17-19-26)23-12-14-25(15-13-23)28(30)33-22(3)27(29)32-20-7-5-2/h12-19,22H,4-11,20-21H2,1-3H3