methyl 2-ethyl-5-methylsulfonyl-4-phenyl-benzoate

Systemtic Name: methyl 2-ethyl-5-methylsulfonyl-4-phenyl-benzoate Openeye Name: methyl 2-ethyl-5-methylsulfonyl-4-phenyl-benzoate CAS Name: 2-ethyl-5-methylsulfonyl-4-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-5-methylsulfonyl-4-phenylbenzoate Traditional Name: 2-ethyl-5-mesyl-4-phenyl-benzoic acid methyl ester Formula: C17H18O4S MolecularWeight: 318.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C17H18O4S/c1-4-12-10-14(13-8-6-5-7-9-13)16(22(3,19)20)11-15(12)17(18)21-2/h5-11H,4H2,1-3H3