(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate

Systemtic Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate Openeye Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate CAS Name: 4-(1-heptoxyethyl)benzoic acid (1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-heptoxyethyl)benzoate Traditional Name: 4-(1-heptoxyethyl)benzoic acid (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C35H48O3 MolecularWeight: 516.75382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCC

InChI

InChI=1S/C35H48O3/c1-4-6-8-10-15-25-35(26-23-32(24-27-35)31-17-13-12-14-18-31)38-34(36)33-21-19-30(20-22-33)29(3)37-28-16-11-9-7-5-2/h12-14,17-24,26-27,29,32H,4-11,15-16,25,28H2,1-3H3