4-carboxyoxy-3-(1,2-dicarboxyoxy-1-phosphono-ethyl)-2-methyl-hexanoic acid

Systemtic Name: 4-carboxyoxy-3-(1,2-dicarboxyoxy-1-phosphono-ethyl)-2-methyl-hexanoic acid Openeye Name: 4-carboxyoxy-3-(1,2-dicarboxyoxy-1-phosphono-ethyl)-2-methyl-hexanoic acid CAS Name: 4-carboxyoxy-3-(1,2-dicarboxyoxy-1-phosphonoethyl)-2-methylhexanoic acid IUPAC Name: 4-carboxyoxy-3-(1,2-dicarboxyoxy-1-phosphonoethyl)-2-methylhexanoic acid Traditional Name: 4-carboxyoxy-3-(1,2-dicarboxyoxy-1-phosphono-ethyl)-2-methyl-hexanoic acid Formula: C12H19O14P MolecularWeight: 418.244621

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C)C(=O)O)C(COC(=O)O)(OC(=O)O)P(=O)(O)O)OC(=O)O

Isomeric SMILES

CCC(C(C(C)C(=O)O)C(COC(=O)O)(OC(=O)O)P(=O)(O)O)OC(=O)O

InChI

InChI=1S/C12H19O14P/c1-3-6(25-10(17)18)7(5(2)8(13)14)12(26-11(19)20,27(21,22)23)4-24-9(15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,21,22,23)