(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate

Systemtic Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate Openeye Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate CAS Name: 4-(1-octoxyethyl)benzoic acid (1-butyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-butyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate Traditional Name: 4-(1-octoxyethyl)benzoic acid (1-butyl-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=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCC

InChI

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