(1-oxidanyl-1-phosphono-ethyl)phosphonic acid; phosphonomethylphosphonic acid

Systemtic Name: (1-oxidanyl-1-phosphono-ethyl)phosphonic acid; phosphonomethylphosphonic acid Openeye Name: (1-hydroxy-1-phosphono-ethyl)phosphonic acid; phosphonomethylphosphonic acid CAS Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid; phosphonomethylphosphonic acid IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid; phosphonomethylphosphonic acid Traditional Name: (1-hydroxy-1-phosphono-ethyl)phosphonic acid; phosphonomethylphosphonic acid Formula: C3H14O13P4 MolecularWeight: 382.030504

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(O)(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C2H8O7P2.CH6O6P2/c1-2(3,10(4,5)6)11(7,8)9;2-8(3,4)1-9(5,6)7/h3H,1H3,(H2,4,5,6)(H2,7,8,9);1H2,(H2,2,3,4)(H2,5,6,7)