(4-methylsulfanylphenyl) 4-heptylbenzoate

Systemtic Name: (4-methylsulfanylphenyl) 4-heptylbenzoate Openeye Name: (4-methylsulfanylphenyl) 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(methylthio)phenyl] ester Formula: C21H26O2S MolecularWeight: 342.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)SC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H26O2S/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)21(22)23-19-13-15-20(24-2)16-14-19/h9-16H,3-8H2,1-2H3