1,1-bis(oxidanylidene)-5-phenylmethoxy-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-4-carboxylic acid

Systemtic Name: 1,1-bis(oxidanylidene)-5-phenylmethoxy-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-4-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-5-benzyloxy-1,1-dioxo-2,3-dihydrobenzothiophene-4-carboxylic acid CAS Name: 3-(benzenesulfonyl)-1,1-dioxo-5-phenylmethoxy-2,3-dihydro-1-benzothiophene-4-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-1,1-dioxo-5-phenylmethoxy-2,3-dihydro-1-benzothiophene-4-carboxylic acid Traditional Name: 5-benzoxy-3-besyl-1,1-diketo-2,3-dihydrobenzothiophene-4-carboxylic acid Formula: C22H18O7S2 MolecularWeight: 458.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(S1(=O)=O)C=CC(=C2C(=O)O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(S1(=O)=O)C=CC(=C2C(=O)O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18O7S2/c23-22(24)20-17(29-13-15-7-3-1-4-8-15)11-12-18-21(20)19(14-30(18,25)26)31(27,28)16-9-5-2-6-10-16/h1-12,19H,13-14H2,(H,23,24)