5-[(2-methyl-1,3-benzothiazol-6-yl)sulfanyloxy-oxidanyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfanyloxy-oxidanyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[hydroxy-[(2-methyl-1,3-benzothiazol-6-yl)sulfanyloxy]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[hydroxy-[(2-methyl-1,3-benzothiazol-6-yl)thio]oxyamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[hydroxy-[(2-methyl-1,3-benzothiazol-6-yl)sulfanyloxy]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[hydroxy-[(2-methyl-1,3-benzothiazol-6-yl)thio]oxy-amino]isophthalic acid Formula: C16H12N2O6S2 MolecularWeight: 392.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)SON(C3=CC(=CC(=C3)C(=O)O)C(=O)O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)SON(C3=CC(=CC(=C3)C(=O)O)C(=O)O)O

InChI

InChI=1S/C16H12N2O6S2/c1-8-17-13-3-2-12(7-14(13)25-8)26-24-18(23)11-5-9(15(19)20)4-10(6-11)16(21)22/h2-7,23H,1H3,(H,19,20)(H,21,22)