5-[[4-methanoyl-6-methyl-5-methylsulfonyloxy-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-methanoyl-6-methyl-5-methylsulfonyloxy-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-formyl-6-methyl-5-methylsulfonyloxy-3-(phosphonooxymethyl)-2-pyridyl]azo]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-formyl-6-methyl-5-methylsulfonyloxy-3-(phosphonooxymethyl)-2-pyridinyl]azo]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-formyl-6-methyl-5-methylsulfonyloxy-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-formyl-6-methyl-5-methylsulfonyloxy-3-(phosphonooxymethyl)-2-pyridyl]azo]isophthalic acid Formula: C17H16N3O12PS MolecularWeight: 517.360601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)N=NC2=CC(=CC(=C2)C(=O)O)C(=O)O)COP(=O)(O)O)C=O)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)N=NC2=CC(=CC(=C2)C(=O)O)C(=O)O)COP(=O)(O)O)C=O)OS(=O)(=O)C

InChI

InChI=1S/C17H16N3O12PS/c1-8-14(32-34(2,29)30)12(6-21)13(7-31-33(26,27)28)15(18-8)20-19-11-4-9(16(22)23)3-10(5-11)17(24)25/h3-6H,7H2,1-2H3,(H,22,23)(H,24,25)(H2,26,27,28)