2-(1,1-diphosphonobutyl)-3-methyl-butanedioic acid

Systemtic Name: 2-(1,1-diphosphonobutyl)-3-methyl-butanedioic acid Openeye Name: 2-(1,1-diphosphonobutyl)-3-methyl-butanedioic acid CAS Name: 2-(1,1-diphosphonobutyl)-3-methylbutanedioic acid IUPAC Name: 2-(1,1-diphosphonobutyl)-3-methylbutanedioic acid Traditional Name: 2-(1,1-diphosphonobutyl)-3-methyl-succinic acid Formula: C9H18O10P2 MolecularWeight: 348.180742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C)C(=O)O)C(=O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCC(C(C(C)C(=O)O)C(=O)O)(P(=O)(O)O)P(=O)(O)O

InChI

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