4,4-dimethyl-2-phosphono-hexanedioic acid

Systemtic Name: 4,4-dimethyl-2-phosphono-hexanedioic acid Openeye Name: 4,4-dimethyl-2-phosphono-hexanedioic acid CAS Name: 4,4-dimethyl-2-phosphonohexanedioic acid IUPAC Name: 4,4-dimethyl-2-phosphonohexanedioic acid Traditional Name: 4,4-dimethyl-2-phosphono-adipic acid Formula: C8H15O7P MolecularWeight: 254.174261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15O7P/c1-8(2,4-6(9)10)3-5(7(11)12)16(13,14)15/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)(H2,13,14,15)