methyl 2,2,5-trimethyl-3-oxidanyl-1,1-bis(oxidanylidene)-3H-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2,2,5-trimethyl-3-oxidanyl-1,1-bis(oxidanylidene)-3H-1-benzothiophene-6-carboxylate Openeye Name: methyl 3-hydroxy-2,2,5-trimethyl-1,1-dioxo-3H-benzothiophene-6-carboxylate CAS Name: 3-hydroxy-2,2,5-trimethyl-1,1-dioxo-3H-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,2,5-trimethyl-1,1-dioxo-3H-1-benzothiophene-6-carboxylate Traditional Name: 3-hydroxy-1,1-diketo-2,2,5-trimethyl-3H-benzothiophene-6-carboxylic acid methyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)OC)S(=O)(=O)C(C2O)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)OC)S(=O)(=O)C(C2O)(C)C

InChI

InChI=1S/C13H16O5S/c1-7-5-9-10(6-8(7)12(15)18-4)19(16,17)13(2,3)11(9)14/h5-6,11,14H,1-4H3