[4-(4-cyanophenyl)sulfanylcarbonylphenyl] dodecanoate

Systemtic Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] dodecanoate Openeye Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] dodecanoate CAS Name: dodecanoic acid [4-[[(4-cyanophenyl)thio]-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] dodecanoate Traditional Name: lauric acid [4-[(4-cyanophenyl)thio]carbonylphenyl] ester Formula: C26H31NO3S MolecularWeight: 437.59424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-25(28)30-23-16-14-22(15-17-23)26(29)31-24-18-12-21(20-27)13-19-24/h12-19H,2-11H2,1H3