2-methyl-1-(phosphonomethyl)hexane-1,2,3-tricarboxylic acid

Systemtic Name: 2-methyl-1-(phosphonomethyl)hexane-1,2,3-tricarboxylic acid Openeye Name: 2-methyl-1-(phosphonomethyl)hexane-1,2,3-tricarboxylic acid CAS Name: 2-methyl-1-(phosphonomethyl)hexane-1,2,3-tricarboxylic acid IUPAC Name: 2-methyl-1-(phosphonomethyl)hexane-1,2,3-tricarboxylic acid Traditional Name: 2-methyl-1-(phosphonomethyl)hexane-1,2,3-tricarboxylic acid Formula: C11H19O9P MolecularWeight: 326.236921

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)C(C)(C(CP(=O)(O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(C(=O)O)C(C)(C(CP(=O)(O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C11H19O9P/c1-3-4-6(8(12)13)11(2,10(16)17)7(9(14)15)5-21(18,19)20/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)(H2,18,19,20)