4-(2,4-dimethylphenoxy)-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-(2,4-dimethylphenoxy)-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-(2,4-dimethylphenoxy)-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-(2,4-dimethylphenoxy)-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-(2,4-dimethylphenoxy)-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-(2,4-dimethylphenoxy)-5-mesyl-2-methyl-benzoic acid Formula: C17H18O5S MolecularWeight: 334.38682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O5S/c1-10-5-6-14(12(3)7-10)22-15-8-11(2)13(17(18)19)9-16(15)23(4,20)21/h5-9H,1-4H3,(H,18,19)