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

Systemtic Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Openeye Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate CAS Name: 4-(1-butoxyethyl)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-butoxyethyl)benzoate Traditional Name: 4-(1-butoxyethyl)benzoic acid (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C29H36O3 MolecularWeight: 432.59434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCC

Isomeric SMILES

CCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCC

InChI

InChI=1S/C29H36O3/c1-4-6-19-29(20-17-26(18-21-29)25-11-9-8-10-12-25)32-28(30)27-15-13-24(14-16-27)23(3)31-22-7-5-2/h8-18,20-21,23,26H,4-7,19,22H2,1-3H3