2-methyl-2,4-diphosphono-3-(sulfanylmethyl)pentanedioic acid

Systemtic Name: 2-methyl-2,4-diphosphono-3-(sulfanylmethyl)pentanedioic acid Openeye Name: 2-methyl-2,4-diphosphono-3-(sulfanylmethyl)pentanedioic acid CAS Name: 3-(mercaptomethyl)-2-methyl-2,4-diphosphonopentanedioic acid IUPAC Name: 2-methyl-2,4-diphosphono-3-(sulfanylmethyl)pentanedioic acid Traditional Name: 3-(mercaptomethyl)-2-methyl-2,4-diphosphono-glutaric acid Formula: C7H14O10P2S MolecularWeight: 352.192582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14O10P2S/c1-7(6(10)11,19(15,16)17)3(2-20)4(5(8)9)18(12,13)14/h3-4,20H,2H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17)