[4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] octanoate

Systemtic Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] octanoate Openeye Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-[[(4-cyanophenyl)thio]-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-[(4-cyanophenyl)thio]carbonylphenyl]phenyl] ester Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H27NO3S/c1-2-3-4-5-6-7-27(30)32-25-16-14-23(15-17-25)22-10-12-24(13-11-22)28(31)33-26-18-8-21(20-29)9-19-26/h8-19H,2-7H2,1H3