5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; phosphoric acid

Systemtic Name: 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; phosphoric acid Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde; phosphoric acid CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; phosphoric acid IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde; phosphoric acid Traditional Name: 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde; phosphoric acid Formula: C16H30N2O22P4 MolecularWeight: 726.304644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)CO.CC1=NC=C(C(=C1O)C=O)CO.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)CO.CC1=NC=C(C(=C1O)C=O)CO.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/2C8H9NO3.4H3O4P/c2*1-5-8(12)7(4-11)6(3-10)2-9-5;4*1-5(2,3)4/h2*2,4,10,12H,3H2,1H3;4*(H3,1,2,3,4)