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

Systemtic Name: 4-ethyl-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-ethyl-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-ethyl-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-ethyl-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-ethyl-5-mesyl-2-methyl-benzoic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H14O4S/c1-4-8-5-7(2)9(11(12)13)6-10(8)16(3,14)15/h5-6H,4H2,1-3H3,(H,12,13)