[4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-octylbenzoate

Systemtic Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-octylbenzoate Openeye Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [4-phenyl-1-(1-propoxyethyl)-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-phenyl-1-(1-propoxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C32H42O3 MolecularWeight: 474.67408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCC

InChI

InChI=1S/C32H42O3/c1-4-6-7-8-9-11-14-27-17-19-30(20-18-27)31(33)35-32(26(3)34-25-5-2)23-21-29(22-24-32)28-15-12-10-13-16-28/h10,12-13,15-24,26,29H,4-9,11,14,25H2,1-3H3