2-methyl-4-(3-methylphenoxy)-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-methyl-4-(3-methylphenoxy)-5-methylsulfonyl-benzoic acid Openeye Name: 2-methyl-4-(3-methylphenoxy)-5-methylsulfonyl-benzoic acid CAS Name: 2-methyl-4-(3-methylphenoxy)-5-methylsulfonylbenzoic acid IUPAC Name: 2-methyl-4-(3-methylphenoxy)-5-methylsulfonylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-(3-methylphenoxy)benzoic acid Formula: C16H16O5S MolecularWeight: 320.36024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C(=C2)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C(=C2)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C16H16O5S/c1-10-5-4-6-12(7-10)21-14-8-11(2)13(16(17)18)9-15(14)22(3,19)20/h4-9H,1-3H3,(H,17,18)