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

Systemtic Name: [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate Openeye Name: [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic 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-butylbenzoate Traditional Name: 4-butylbenzoic acid [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C31H40O3 MolecularWeight: 460.6475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C31H40O3/c1-4-6-8-12-24-33-25(3)31(22-20-28(21-23-31)27-14-10-9-11-15-27)34-30(32)29-18-16-26(17-19-29)13-7-5-2/h9-11,14-23,25,28H,4-8,12-13,24H2,1-3H3