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2-phosphono-3-(2-pyridin-2-ylpropyl)butanedioic acid

2-phosphono-3-(2-pyridin-2-ylpropyl)butanedioic acid

Systemtic Name:2-phosphono-3-(2-pyridin-2-ylpropyl)butanedioic acid
Openeye Name:2-phosphono-3-[2-(2-pyridyl)propyl]butanedioic acid
CAS Name:2-phosphono-3-[2-(2-pyridinyl)propyl]butanedioic acid
IUPAC Name:2-phosphono-3-(2-pyridin-2-ylpropyl)butanedioic acid
Traditional Name:2-phosphono-3-[2-(2-pyridyl)propyl]succinic acid
Formula: C12H16NO7P
MolecularWeight: 317.231701
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C(=O)O)P(=O)(O)O)C(=O)O)C1=CC=CC=N1


Isomeric SMILES

CC(CC(C(C(=O)O)P(=O)(O)O)C(=O)O)C1=CC=CC=N1


InChI

InChI=1S/C12H16NO7P/c1-7(9-4-2-3-5-13-9)6-8(11(14)15)10(12(16)17)21(18,19)20/h2-5,7-8,10H,6H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)


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