(4-pentan-2-ylphenyl) 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (4-pentan-2-ylphenyl) 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: [4-(1-methylbutyl)phenyl] 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-heptyl-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (4-pentan-2-ylphenyl) ester IUPAC Name: (4-pentan-2-ylphenyl) 1-heptyl-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid [4-(1-methylbutyl)phenyl] ester Formula: C31H40O2 MolecularWeight: 444.6481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(C)CCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(C)CCC

InChI

InChI=1S/C31H40O2/c1-4-6-7-8-12-22-31(23-20-28(21-24-31)27-14-10-9-11-15-27)30(32)33-29-18-16-26(17-19-29)25(3)13-5-2/h9-11,14-21,23-25,28H,4-8,12-13,22H2,1-3H3