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2-phosphono-3-[(E)-4-pyridin-2-ylbut-2-enyl]butanedioic acid

2-phosphono-3-[(E)-4-pyridin-2-ylbut-2-enyl]butanedioic acid

Systemtic Name:2-phosphono-3-[(E)-4-pyridin-2-ylbut-2-enyl]butanedioic acid
Openeye Name:2-phosphono-3-[(E)-4-(2-pyridyl)but-2-enyl]butanedioic acid
CAS Name:2-phosphono-3-[(E)-4-(2-pyridinyl)but-2-enyl]butanedioic acid
IUPAC Name:2-phosphono-3-[(E)-4-pyridin-2-ylbut-2-enyl]butanedioic acid
Traditional Name:2-phosphono-3-[(E)-4-(2-pyridyl)but-2-enyl]succinic acid
Formula: C13H16NO7P
MolecularWeight: 329.242401
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC=CCC(C(C(=O)O)P(=O)(O)O)C(=O)O


Isomeric SMILES

C1=CC=NC(=C1)C/C=C/CC(C(C(=O)O)P(=O)(O)O)C(=O)O


InChI

InChI=1S/C13H16NO7P/c15-12(16)10(11(13(17)18)22(19,20)21)7-2-1-5-9-6-3-4-8-14-9/h1-4,6,8,10-11H,5,7H2,(H,15,16)(H,17,18)(H2,19,20,21)/b2-1+


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