1-methyl-3-phosphono-heptane-1,2,4-tricarboxylic acid

Systemtic Name: 1-methyl-3-phosphono-heptane-1,2,4-tricarboxylic acid Openeye Name: 1-methyl-3-phosphono-heptane-1,2,4-tricarboxylic acid CAS Name: 1-methyl-3-phosphonoheptane-1,2,4-tricarboxylic acid IUPAC Name: 1-methyl-3-phosphonoheptane-1,2,4-tricarboxylic acid Traditional Name: 1-methyl-3-phosphono-heptane-1,2,4-tricarboxylic acid Formula: C11H19O9P MolecularWeight: 326.236921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19O9P/c1-3-4-6(10(14)15)8(21(18,19)20)7(11(16)17)5(2)9(12)13/h5-8H,3-4H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)(H2,18,19,20)