2,4-diphosphono-2-(2-pyrrolidin-1-ylpropyl)pentanedioic acid

Systemtic Name: 2,4-diphosphono-2-(2-pyrrolidin-1-ylpropyl)pentanedioic acid Openeye Name: 2,4-diphosphono-2-(2-pyrrolidin-1-ylpropyl)pentanedioic acid CAS Name: 2,4-diphosphono-2-[2-(1-pyrrolidinyl)propyl]pentanedioic acid IUPAC Name: 2,4-diphosphono-2-(2-pyrrolidin-1-ylpropyl)pentanedioic acid Traditional Name: 2,4-diphosphono-2-(2-pyrrolidinopropyl)glutaric acid Formula: C12H23NO10P2 MolecularWeight: 403.259242

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O)N1CCCC1

Isomeric SMILES

CC(CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O)N1CCCC1

InChI

InChI=1S/C12H23NO10P2/c1-8(13-4-2-3-5-13)6-12(11(16)17,25(21,22)23)7-9(10(14)15)24(18,19)20/h8-9H,2-7H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)