4-methoxy-3-methylsulfonyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-5-carboxylic acid

Systemtic Name: 4-methoxy-3-methylsulfonyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: 4-methoxy-3-methylsulfonyl-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylic acid CAS Name: 4-methoxy-3-methylsulfonyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 4-methoxy-3-methylsulfonyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: 1,1-diketo-3-mesyl-4-methoxy-2,3-dihydrobenzothiophene-5-carboxylic acid Formula: C11H12O7S2 MolecularWeight: 320.33878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C)C(=O)O

Isomeric SMILES

COC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H12O7S2/c1-18-10-6(11(12)13)3-4-7-9(10)8(19(2,14)15)5-20(7,16)17/h3-4,8H,5H2,1-2H3,(H,12,13)