3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-phosphono-hexane-1,2,4-tricarboxylic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-phosphono-hexane-1,2,4-tricarboxylic acid Openeye Name: 3-(2-hydroxy-1-methyl-2-oxo-ethyl)-2-phosphono-hexane-1,2,4-tricarboxylic acid CAS Name: 3-(1-hydroxy-1-oxopropan-2-yl)-2-phosphonohexane-1,2,4-tricarboxylic acid IUPAC Name: 3-(1-hydroxy-1-oxopropan-2-yl)-2-phosphonohexane-1,2,4-tricarboxylic acid Traditional Name: 3-(2-hydroxy-2-keto-1-methyl-ethyl)-2-phosphono-hexane-1,2,4-tricarboxylic acid Formula: C12H19O11P MolecularWeight: 370.246421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19O11P/c1-3-6(10(17)18)8(5(2)9(15)16)12(11(19)20,4-7(13)14)24(21,22)23/h5-6,8H,3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,21,22,23)