5-methyl-1,1-bis(oxidanylidene)-3-propan-2-yl-2,3-dihydro-1-benzothiophene-6-carboxylic acid

Systemtic Name: 5-methyl-1,1-bis(oxidanylidene)-3-propan-2-yl-2,3-dihydro-1-benzothiophene-6-carboxylic acid Openeye Name: 3-isopropyl-5-methyl-1,1-dioxo-2,3-dihydrobenzothiophene-6-carboxylic acid CAS Name: 5-methyl-1,1-dioxo-3-propan-2-yl-2,3-dihydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 5-methyl-1,1-dioxo-3-propan-2-yl-2,3-dihydro-1-benzothiophene-6-carboxylic acid Traditional Name: 3-isopropyl-1,1-diketo-5-methyl-2,3-dihydrobenzothiophene-6-carboxylic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)O)S(=O)(=O)CC2C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)O)S(=O)(=O)CC2C(C)C

InChI

InChI=1S/C13H16O4S/c1-7(2)11-6-18(16,17)12-5-9(13(14)15)8(3)4-10(11)12/h4-5,7,11H,6H2,1-3H3,(H,14,15)