2-methyl-3-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]pyridine-4-carboxylic acid

Systemtic Name: 2-methyl-3-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]pyridine-4-carboxylic acid Openeye Name: 3-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]-2-methyl-pyridine-4-carboxylic acid CAS Name: 3-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]methyl]-2-methyl-4-pyridinecarboxylic acid IUPAC Name: 3-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]methyl]-2-methylpyridine-4-carboxylic acid Traditional Name: 3-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]-2-methyl-isonicotinic acid Formula: C8H12NO12P3 MolecularWeight: 407.101663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C(=O)O)CP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C(=O)O)CP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H12NO12P3/c1-4-7(10)6(8(11)12)5(2-9-4)3-22(13,14)20-24(18,19)21-23(15,16)17/h2,10H,3H2,1H3,(H,11,12)(H,13,14)(H,18,19)(H2,15,16,17)