2-(1,1-diphosphonopropyl)-3-ethyl-butanedioic acid

Systemtic Name: 2-(1,1-diphosphonopropyl)-3-ethyl-butanedioic acid Openeye Name: 2-(1,1-diphosphonopropyl)-3-ethyl-butanedioic acid CAS Name: 2-(1,1-diphosphonopropyl)-3-ethylbutanedioic acid IUPAC Name: 2-(1,1-diphosphonopropyl)-3-ethylbutanedioic acid Traditional Name: 2-(1,1-diphosphonopropyl)-3-ethyl-succinic acid Formula: C9H18O10P2 MolecularWeight: 348.180742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O10P2/c1-3-5(7(10)11)6(8(12)13)9(4-2,20(14,15)16)21(17,18)19/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)