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

Systemtic Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] nonanoate Openeye Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] nonanoate CAS Name: nonanoic acid [4-[4-[[(4-cyanophenyl)thio]-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(4-cyanophenyl)sulfanylcarbonylphenyl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[4-[(4-cyanophenyl)thio]carbonylphenyl]phenyl] ester Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO3S/c1-2-3-4-5-6-7-8-28(31)33-26-17-15-24(16-18-26)23-11-13-25(14-12-23)29(32)34-27-19-9-22(21-30)10-20-27/h9-20H,2-8H2,1H3