(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCC

InChI

InChI=1S/C31H40O4/c1-4-6-7-8-9-13-24-34-31(22-20-28(21-23-31)27-14-11-10-12-15-27)35-30(32)29-18-16-26(17-19-29)25(3)33-5-2/h10-12,14-23,25,28H,4-9,13,24H2,1-3H3