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

Systemtic Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Openeye Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic 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-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C35H48O3 MolecularWeight: 516.75382

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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)CCCCCC

Isomeric SMILES

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

InChI

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