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2-(6-imidazol-1-ylhexyl)-3-phosphono-butanedioic acid

2-(6-imidazol-1-ylhexyl)-3-phosphono-butanedioic acid

Systemtic Name:2-(6-imidazol-1-ylhexyl)-3-phosphono-butanedioic acid
Openeye Name:2-(6-imidazol-1-ylhexyl)-3-phosphono-butanedioic acid
CAS Name:2-[6-(1-imidazolyl)hexyl]-3-phosphonobutanedioic acid
IUPAC Name:2-(6-imidazol-1-ylhexyl)-3-phosphonobutanedioic acid
Traditional Name:2-(6-imidazol-1-ylhexyl)-3-phosphono-succinic acid
Formula: C13H21N2O7P
MolecularWeight: 348.288801
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O


Isomeric SMILES

C1=CN(C=N1)CCCCCCC(C(C(=O)O)P(=O)(O)O)C(=O)O


InChI

InChI=1S/C13H21N2O7P/c16-12(17)10(11(13(18)19)23(20,21)22)5-3-1-2-4-7-15-8-6-14-9-15/h6,8-11H,1-5,7H2,(H,16,17)(H,18,19)(H2,20,21,22)


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