[1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate

Systemtic Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Openeye Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [1-(1-octoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-octoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C32H42O4 MolecularWeight: 490.67348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C32H42O4/c1-4-6-7-8-9-13-25-34-26(3)32(22-20-28(21-23-32)27-14-11-10-12-15-27)36-31(33)29-16-18-30(19-17-29)35-24-5-2/h10-12,14-23,26,28H,4-9,13,24-25H2,1-3H3