(1-phosphono-1-pyridin-3-yl-ethyl)phosphonic acid

Systemtic Name: (1-phosphono-1-pyridin-3-yl-ethyl)phosphonic acid Openeye Name: [1-phosphono-1-(3-pyridyl)ethyl]phosphonic acid CAS Name: [1-phosphono-1-(3-pyridinyl)ethyl]phosphonic acid IUPAC Name: (1-phosphono-1-pyridin-3-ylethyl)phosphonic acid Traditional Name: [1-phosphono-1-(3-pyridyl)ethyl]phosphonic acid Formula: C7H11NO6P2 MolecularWeight: 267.112862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C1=CN=CC=C1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H11NO6P2/c1-7(15(9,10)11,16(12,13)14)6-3-2-4-8-5-6/h2-5H,1H3,(H2,9,10,11)(H2,12,13,14)