(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate

Systemtic Name: (1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate Openeye Name: (1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate CAS Name: 4-(1-hexoxyethyl)benzoic acid (1-butoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-butoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexoxyethyl)benzoate Traditional Name: 4-(1-hexoxyethyl)benzoic acid (1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C31H40O4 MolecularWeight: 476.6469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCC

Isomeric SMILES

CCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCC

InChI

InChI=1S/C31H40O4/c1-4-6-8-12-23-33-25(3)26-15-17-29(18-16-26)30(32)35-31(34-24-7-5-2)21-19-28(20-22-31)27-13-10-9-11-14-27/h9-11,13-22,25,28H,4-8,12,23-24H2,1-3H3