[1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate

Systemtic Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate Openeye Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [1-(1-butoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-butoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C29H36O3 MolecularWeight: 432.59434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCCCC

InChI

InChI=1S/C29H36O3/c1-4-6-11-24-14-16-27(17-15-24)28(30)32-29(23(3)31-22-7-5-2)20-18-26(19-21-29)25-12-9-8-10-13-25/h8-10,12-21,23,26H,4-7,11,22H2,1-3H3