2-methyl-5-methylsulfonyl-4-phenyl-benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-phenyl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-phenyl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-phenylbenzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-phenylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-phenyl-benzoic acid Formula: C15H14O4S MolecularWeight: 290.33426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O4S/c1-10-8-13(11-6-4-3-5-7-11)14(20(2,18)19)9-12(10)15(16)17/h3-9H,1-2H3,(H,16,17)