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

Systemtic Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate Openeye Name: [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic 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-butylbenzoate Traditional Name: 4-butylbenzoic acid [1-(1-octoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C33H44O3 MolecularWeight: 488.70066

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C33H44O3/c1-4-6-8-9-10-14-26-35-27(3)33(24-22-30(23-25-33)29-16-12-11-13-17-29)36-32(34)31-20-18-28(19-21-31)15-7-5-2/h11-13,16-25,27,30H,4-10,14-15,26H2,1-3H3