3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxylate IUPAC Name: 3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-mesyl-6,7-dihydroisobenzothiophene-1-carboxylate Formula: C10H9O4S2- MolecularWeight: 257.30606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)[O-]

InChI

InChI=1S/C10H10O4S2/c1-16(13,14)10-7-5-3-2-4-6(7)8(15-10)9(11)12/h3,5H,2,4H2,1H3,(H,11,12)/p-1