[6-(oxidanylidenemethylidene)cyclohexa-1,3-dien-1-yl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [6-(oxidanylidenemethylidene)cyclohexa-1,3-dien-1-yl] 4-(4-octoxyphenyl)benzoate Openeye Name: [6-(oxomethylene)cyclohexa-1,3-dien-1-yl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [6-(oxomethylidene)-1-cyclohexa-1,3-dienyl] ester IUPAC Name: [6-(oxomethylidene)cyclohexa-1,3-dien-1-yl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [6-(ketomethylene)cyclohexa-1,3-dien-1-yl] ester Formula: C28H30O4 MolecularWeight: 430.5354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CCC3=C=O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CCC3=C=O

InChI

InChI=1S/C28H30O4/c1-2-3-4-5-6-9-20-31-26-18-16-23(17-19-26)22-12-14-24(15-13-22)28(30)32-27-11-8-7-10-25(27)21-29/h7-8,11-19H,2-6,9-10,20H2,1H3