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

Systemtic Name: [1-(1-ethoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate Openeye Name: [1-(1-ethoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [1-(1-ethoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-ethoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [1-(1-ethoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C29H36O4 MolecularWeight: 448.59374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCC

InChI

InChI=1S/C29H36O4/c1-4-6-7-11-22-32-27-16-14-26(15-17-27)28(30)33-29(23(3)31-5-2)20-18-25(19-21-29)24-12-9-8-10-13-24/h8-10,12-21,23,25H,4-7,11,22H2,1-3H3