3-oxidanylideneoctan-2-yl 4-(4-octylphenyl)benzoate

Systemtic Name: 3-oxidanylideneoctan-2-yl 4-(4-octylphenyl)benzoate Openeye Name: (1-methyl-2-oxo-heptyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid 3-oxooctan-2-yl ester IUPAC Name: 3-oxooctan-2-yl 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (2-keto-1-methyl-heptyl) ester Formula: C29H40O3 MolecularWeight: 436.6261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCCC

InChI

InChI=1S/C29H40O3/c1-4-6-8-9-10-12-13-24-15-17-25(18-16-24)26-19-21-27(22-20-26)29(31)32-23(3)28(30)14-11-7-5-2/h15-23H,4-14H2,1-3H3