[4-(4-cyanophenyl)sulfanylcarbonylphenyl] pentadecanoate

Systemtic Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] pentadecanoate Openeye Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] pentadecanoate CAS Name: pentadecanoic acid [4-[[(4-cyanophenyl)thio]-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] pentadecanoate Traditional Name: pentadecanoic acid [4-[(4-cyanophenyl)thio]carbonylphenyl] ester Formula: C29H37NO3S MolecularWeight: 479.67398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-28(31)33-26-19-17-25(18-20-26)29(32)34-27-21-15-24(23-30)16-22-27/h15-22H,2-14H2,1H3