2-(methylsulfonylmethyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(methylsulfonylmethyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(methylsulfonylmethyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(methylsulfonylmethyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(methylsulfonylmethyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(mesylmethyl)-2,4-diphosphono-glutaric acid Formula: C7H14O12P2S MolecularWeight: 384.191382

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CS(=O)(=O)CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C7H14O12P2S/c1-22(18,19)3-7(6(10)11,21(15,16)17)2-4(5(8)9)20(12,13)14/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17)