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

Systemtic Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] heptanoate Openeye Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] heptanoate CAS Name: heptanoic acid [4-[4-[[(4-cyanophenyl)thio]-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] heptanoate Traditional Name: enanthic acid [4-[4-[(4-cyanophenyl)thio]carbonylphenyl]phenyl] ester Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO3S/c1-2-3-4-5-6-26(29)31-24-15-13-22(14-16-24)21-9-11-23(12-10-21)27(30)32-25-17-7-20(19-28)8-18-25/h7-18H,2-6H2,1H3