[4-[2-oxidanylidene-2-[4-(4-propylcyclohexyl)phenyl]ethoxy]carbonylphenyl] 4-heptylbenzoate

Systemtic Name: [4-[2-oxidanylidene-2-[4-(4-propylcyclohexyl)phenyl]ethoxy]carbonylphenyl] 4-heptylbenzoate Openeye Name: [4-[2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy]carbonylphenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-[oxo-[2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy]methyl]phenyl] ester IUPAC Name: [4-[2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy]carbonylphenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-[2-keto-2-[4-(4-propylcyclohexyl)phenyl]ethoxy]carbonylphenyl] ester Formula: C38H46O5 MolecularWeight: 582.76884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCC(CC4)CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCC(CC4)CCC

InChI

InChI=1S/C38H46O5/c1-3-5-6-7-8-10-29-13-17-34(18-14-29)38(41)43-35-25-23-33(24-26-35)37(40)42-27-36(39)32-21-19-31(20-22-32)30-15-11-28(9-4-2)12-16-30/h13-14,17-26,28,30H,3-12,15-16,27H2,1-2H3