[4-(4-cyanophenyl)phenyl] 4-decylbenzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-decylbenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-decylbenzoate Traditional Name: 4-decylbenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C30H33NO2 MolecularWeight: 439.58852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C30H33NO2/c1-2-3-4-5-6-7-8-9-10-24-11-17-28(18-12-24)30(32)33-29-21-19-27(20-22-29)26-15-13-25(23-31)14-16-26/h11-22H,2-10H2,1H3