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

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

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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)OCCCC

Isomeric SMILES

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

InChI

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