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

Systemtic Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate Openeye Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic 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-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C31H40O4 MolecularWeight: 476.6469

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H40O4/c1-4-6-8-12-24-34-29-17-15-28(16-18-29)30(32)35-31(25(3)33-23-7-5-2)21-19-27(20-22-31)26-13-10-9-11-14-26/h9-11,13-22,25,27H,4-8,12,23-24H2,1-3H3