methyl 2,2,5-trimethyl-1,1,3-tris(oxidanylidene)-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2,2,5-trimethyl-1,1,3-tris(oxidanylidene)-1-benzothiophene-6-carboxylate Openeye Name: methyl 2,2,5-trimethyl-1,1,3-trioxo-benzothiophene-6-carboxylate CAS Name: 2,2,5-trimethyl-1,1,3-trioxo-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2,2,5-trimethyl-1,1,3-trioxo-1-benzothiophene-6-carboxylate Traditional Name: 1,1,3-triketo-2,2,5-trimethyl-benzothiophene-6-carboxylic acid methyl ester Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(S2(=O)=O)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(S2(=O)=O)(C)C)C(=O)OC

InChI

InChI=1S/C13H14O5S/c1-7-5-9-10(6-8(7)12(15)18-4)19(16,17)13(2,3)11(9)14/h5-6H,1-4H3