phenyl 4-(4-octylphenyl)benzoate

Systemtic Name: phenyl 4-(4-octylphenyl)benzoate Openeye Name: phenyl 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid phenyl ester IUPAC Name: phenyl 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid phenyl ester Formula: C27H30O2 MolecularWeight: 386.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H30O2/c1-2-3-4-5-6-8-11-22-14-16-23(17-15-22)24-18-20-25(21-19-24)27(28)29-26-12-9-7-10-13-26/h7,9-10,12-21H,2-6,8,11H2,1H3