phenyl 2-hexyl-4-methylsulfanyl-benzoate

Systemtic Name: phenyl 2-hexyl-4-methylsulfanyl-benzoate Openeye Name: phenyl 2-hexyl-4-methylsulfanyl-benzoate CAS Name: 2-hexyl-4-(methylthio)benzoic acid phenyl ester IUPAC Name: phenyl 2-hexyl-4-methylsulfanylbenzoate Traditional Name: 2-hexyl-4-(methylthio)benzoic acid phenyl ester Formula: C20H24O2S MolecularWeight: 328.46836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)SC)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)SC)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C20H24O2S/c1-3-4-5-7-10-16-15-18(23-2)13-14-19(16)20(21)22-17-11-8-6-9-12-17/h6,8-9,11-15H,3-5,7,10H2,1-2H3