6-methyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-sulfonic acid

Systemtic Name: 6-methyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-sulfonic acid Openeye Name: 6-methyl-7-oxo-5,6-dihydro-4H-benzothiophene-3-sulfonic acid CAS Name: 6-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonic acid IUPAC Name: 6-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonic acid Traditional Name: 7-keto-6-methyl-5,6-dihydro-4H-benzothiophene-3-sulfonic acid Formula: C9H10O4S2 MolecularWeight: 246.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1=O)SC=C2S(=O)(=O)O

Isomeric SMILES

CC1CCC2=C(C1=O)SC=C2S(=O)(=O)O

InChI

InChI=1S/C9H10O4S2/c1-5-2-3-6-7(15(11,12)13)4-14-9(6)8(5)10/h4-5H,2-3H2,1H3,(H,11,12,13)