1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-4-carboxylic acid

Systemtic Name: 1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-4-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydrobenzothiophene-4-carboxylic acid CAS Name: 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophene-4-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophene-4-carboxylic acid Traditional Name: 3-besyl-1,1-diketo-2,3-dihydrobenzothiophene-4-carboxylic acid Formula: C15H12O6S2 MolecularWeight: 352.38218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H12O6S2/c16-15(17)11-7-4-8-12-14(11)13(9-22(12,18)19)23(20,21)10-5-2-1-3-6-10/h1-8,13H,9H2,(H,16,17)