2-methyl-4-phosphono-hexanedioic acid

Systemtic Name: 2-methyl-4-phosphono-hexanedioic acid Openeye Name: 2-methyl-4-phosphono-hexanedioic acid CAS Name: 2-methyl-4-phosphonohexanedioic acid IUPAC Name: 2-methyl-4-phosphonohexanedioic acid Traditional Name: 2-methyl-4-phosphono-adipic acid Formula: C7H13O7P MolecularWeight: 240.147681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13O7P/c1-4(7(10)11)2-5(3-6(8)9)15(12,13)14/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)