1-methyl-4-phosphono-octane-1,3,4-tricarboxylic acid

Systemtic Name: 1-methyl-4-phosphono-octane-1,3,4-tricarboxylic acid Openeye Name: 1-methyl-4-phosphono-octane-1,3,4-tricarboxylic acid CAS Name: 1-methyl-4-phosphonooctane-1,3,4-tricarboxylic acid IUPAC Name: 1-methyl-4-phosphonooctane-1,3,4-tricarboxylic acid Traditional Name: 1-methyl-4-phosphono-octane-1,3,4-tricarboxylic acid Formula: C12H21O9P MolecularWeight: 340.263501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C(=O)O)C(=O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(C(CC(C)C(=O)O)C(=O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H21O9P/c1-3-4-5-12(11(17)18,22(19,20)21)8(10(15)16)6-7(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H2,19,20,21)