2,4-diphosphono-2-(2-pyridin-3-ylethyl)pentanedioic acid

Systemtic Name: 2,4-diphosphono-2-(2-pyridin-3-ylethyl)pentanedioic acid Openeye Name: 2,4-diphosphono-2-[2-(3-pyridyl)ethyl]pentanedioic acid CAS Name: 2,4-diphosphono-2-[2-(3-pyridinyl)ethyl]pentanedioic acid IUPAC Name: 2,4-diphosphono-2-(2-pyridin-3-ylethyl)pentanedioic acid Traditional Name: 2,4-diphosphono-2-[2-(3-pyridyl)ethyl]glutaric acid Formula: C12H17NO10P2 MolecularWeight: 397.211602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO10P2/c14-10(15)9(24(18,19)20)6-12(11(16)17,25(21,22)23)4-3-8-2-1-5-13-7-8/h1-2,5,7,9H,3-4,6H2,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)