3,3,4,7-tetramethyl-1,1-bis(oxidanylidene)-2H-1-benzothiophene-5-carboxylic acid

Systemtic Name: 3,3,4,7-tetramethyl-1,1-bis(oxidanylidene)-2H-1-benzothiophene-5-carboxylic acid Openeye Name: 3,3,4,7-tetramethyl-1,1-dioxo-2H-benzothiophene-5-carboxylic acid CAS Name: 3,3,4,7-tetramethyl-1,1-dioxo-2H-1-benzothiophene-5-carboxylic acid IUPAC Name: 3,3,4,7-tetramethyl-1,1-dioxo-2H-1-benzothiophene-5-carboxylic acid Traditional Name: 1,1-diketo-3,3,4,7-tetramethyl-2H-benzothiophene-5-carboxylic acid Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)O)C)C(CS2(=O)=O)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)O)C)C(CS2(=O)=O)(C)C

InChI

InChI=1S/C13H16O4S/c1-7-5-9(12(14)15)8(2)10-11(7)18(16,17)6-13(10,3)4/h5H,6H2,1-4H3,(H,14,15)