[2-(4-methoxyphenyl)thian-4-yl] dodecanoate

Systemtic Name: [2-(4-methoxyphenyl)thian-4-yl] dodecanoate Openeye Name: [2-(4-methoxyphenyl)tetrahydrothiopyran-4-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-methoxyphenyl)-4-thianyl] ester IUPAC Name: [2-(4-methoxyphenyl)thian-4-yl] dodecanoate Traditional Name: lauric acid [2-(4-methoxyphenyl)tetrahydrothiopyran-4-yl] ester Formula: C24H38O3S MolecularWeight: 406.62172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CCSC(C1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CCSC(C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C24H38O3S/c1-3-4-5-6-7-8-9-10-11-12-24(25)27-22-17-18-28-23(19-22)20-13-15-21(26-2)16-14-20/h13-16,22-23H,3-12,17-19H2,1-2H3