[4-(4-cyanophenyl)sulfanylcarbonylphenyl] nonanoate

Systemtic Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] nonanoate Openeye Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] nonanoate CAS Name: nonanoic acid [4-[[(4-cyanophenyl)thio]-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] nonanoate Traditional Name: pelargonic acid [4-[(4-cyanophenyl)thio]carbonylphenyl] ester Formula: C23H25NO3S MolecularWeight: 395.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H25NO3S/c1-2-3-4-5-6-7-8-22(25)27-20-13-11-19(12-14-20)23(26)28-21-15-9-18(17-24)10-16-21/h9-16H,2-8H2,1H3