[4-(4-cyanophenoxy)carbonylphenyl] 4-hexylbenzoate

Systemtic Name: [4-(4-cyanophenoxy)carbonylphenyl] 4-hexylbenzoate Openeye Name: [4-(4-cyanophenoxy)carbonylphenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(4-cyanophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyanophenoxy)carbonylphenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(4-cyanophenoxy)carbonylphenyl] ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H25NO4/c1-2-3-4-5-6-20-7-11-22(12-8-20)26(29)32-25-17-13-23(14-18-25)27(30)31-24-15-9-21(19-28)10-16-24/h7-18H,2-6H2,1H3