[1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate

Systemtic Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate Openeye Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [1-(1-octoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-octoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C35H48O4 MolecularWeight: 532.75322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C35H48O4/c1-4-6-8-10-11-16-27-37-29(3)35(25-23-31(24-26-35)30-17-13-12-14-18-30)39-34(36)32-19-21-33(22-20-32)38-28-15-9-7-5-2/h12-14,17-26,29,31H,4-11,15-16,27-28H2,1-3H3