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

Systemtic Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Openeye Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [1-(1-methoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-methoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C28H34O3 MolecularWeight: 418.56776

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H34O3/c1-4-5-6-8-11-23-14-16-26(17-15-23)27(29)31-28(22(2)30-3)20-18-25(19-21-28)24-12-9-7-10-13-24/h7,9-10,12-22,25H,4-6,8,11H2,1-3H3