phenyl 4-(4-nonanoylphenyl)benzoate

Systemtic Name: phenyl 4-(4-nonanoylphenyl)benzoate Openeye Name: phenyl 4-(4-nonanoylphenyl)benzoate CAS Name: 4-[4-(1-oxononyl)phenyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-(4-nonanoylphenyl)benzoate Traditional Name: 4-(4-pelargonylphenyl)benzoic acid phenyl ester Formula: C28H30O3 MolecularWeight: 414.536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C28H30O3/c1-2-3-4-5-6-10-13-27(29)24-18-14-22(15-19-24)23-16-20-25(21-17-23)28(30)31-26-11-8-7-9-12-26/h7-9,11-12,14-21H,2-6,10,13H2,1H3