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

Systemtic Name: 5-[[4-methanoyl-6-methyl-5-phosphonooxy-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-formyl-6-methyl-5-phosphonooxy-3-(phosphonooxymethyl)-2-pyridyl]azo]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-formyl-6-methyl-5-phosphonooxy-3-(phosphonooxymethyl)-2-pyridinyl]azo]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-formyl-6-methyl-5-phosphonooxy-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-formyl-6-methyl-5-phosphonooxy-3-(phosphonooxymethyl)-2-pyridyl]azo]isophthalic acid Formula: C16H15N3O13P2 MolecularWeight: 519.250122

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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)OP(=O)(O)O

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)OP(=O)(O)O

InChI

InChI=1S/C16H15N3O13P2/c1-7-13(32-34(28,29)30)11(5-20)12(6-31-33(25,26)27)14(17-7)19-18-10-3-8(15(21)22)2-9(4-10)16(23)24/h2-5H,6H2,1H3,(H,21,22)(H,23,24)(H2,25,26,27)(H2,28,29,30)