3-methylsulfonylbenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-methylsulfonylbenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-methylsulfonylbenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-methylsulfonyl-9-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 3-methylsulfonylbenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-mesylbenzo[b][1]benzothiepin-9-carboxylic acid Formula: C16H12O4S2 MolecularWeight: 332.39408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)C(=O)O)C=C2

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)C(=O)O)C=C2

InChI

InChI=1S/C16H12O4S2/c1-22(19,20)13-6-7-14-11(8-13)4-2-10-3-5-12(16(17)18)9-15(10)21-14/h2-9H,1H3,(H,17,18)