1-methyl-6,6-bis(oxidanylidene)thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid

Systemtic Name: 1-methyl-6,6-bis(oxidanylidene)thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid Openeye Name: 1-methyl-6,6-dioxo-thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid CAS Name: 1-methyl-6,6-dioxothiepino[4,5-b]pyrrole-5,7-dicarboxylic acid IUPAC Name: 1-methyl-6,6-dioxothiepino[4,5-b]pyrrole-5,7-dicarboxylic acid Traditional Name: 6,6-diketo-1-methyl-thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid Formula: C11H9NO6S MolecularWeight: 283.25726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=C(S(=O)(=O)C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CN1C=CC2=C1C=C(S(=O)(=O)C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C11H9NO6S/c1-12-3-2-6-4-8(10(13)14)19(17,18)9(11(15)16)5-7(6)12/h2-5H,1H3,(H,13,14)(H,15,16)