(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate

Systemtic Name: (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Openeye Name: (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate CAS Name: 4-(1-nonoxyethyl)benzoic acid (1-nonyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-nonyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Traditional Name: 4-(1-nonoxyethyl)benzoic acid (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C39H56O3 MolecularWeight: 572.86014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCCCC

InChI

InChI=1S/C39H56O3/c1-4-6-8-10-12-14-19-29-39(30-27-36(28-31-39)35-21-17-16-18-22-35)42-38(40)37-25-23-34(24-26-37)33(3)41-32-20-15-13-11-9-7-5-2/h16-18,21-28,30-31,33,36H,4-15,19-20,29,32H2,1-3H3