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

Systemtic Name: [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Openeye Name: [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [1-(1-hexoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C33H44O3 MolecularWeight: 488.70066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCCCC

InChI

InChI=1S/C33H44O3/c1-4-6-8-11-15-28-18-20-31(21-19-28)32(34)36-33(27(3)35-26-14-9-7-5-2)24-22-30(23-25-33)29-16-12-10-13-17-29/h10,12-13,16-25,27,30H,4-9,11,14-15,26H2,1-3H3