3-ethyl-1-methyl-2-phosphono-hexane-1,2,3-tricarboxylic acid

Systemtic Name: 3-ethyl-1-methyl-2-phosphono-hexane-1,2,3-tricarboxylic acid Openeye Name: 3-ethyl-1-methyl-2-phosphono-hexane-1,2,3-tricarboxylic acid CAS Name: 3-ethyl-1-methyl-2-phosphonohexane-1,2,3-tricarboxylic acid IUPAC Name: 3-ethyl-1-methyl-2-phosphonohexane-1,2,3-tricarboxylic acid Traditional Name: 3-ethyl-1-methyl-2-phosphono-hexane-1,2,3-tricarboxylic acid Formula: C12H21O9P MolecularWeight: 340.263501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21O9P/c1-4-6-11(5-2,9(15)16)12(10(17)18,22(19,20)21)7(3)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)(H2,19,20,21)