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

Systemtic Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate Openeye Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate CAS Name: 4-(1-octoxyethyl)benzoic acid (1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-octoxyethyl)benzoate Traditional Name: 4-(1-octoxyethyl)benzoic acid (1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C34H46O3 MolecularWeight: 502.72724

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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)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C34H46O3/c1-4-6-8-9-10-15-27-36-28(3)29-18-20-32(21-19-29)33(35)37-34(24-14-7-5-2)25-22-31(23-26-34)30-16-12-11-13-17-30/h11-13,16-23,25-26,28,31H,4-10,14-15,24,27H2,1-3H3