2-ethyl-2,6-dimethyl-4-phosphonato-6-(2-phosphonatobutyl)heptanedioate

Systemtic Name: 2-ethyl-2,6-dimethyl-4-phosphonato-6-(2-phosphonatobutyl)heptanedioate Openeye Name: 2-ethyl-2,6-dimethyl-4-phosphonato-6-(2-phosphonatobutyl)heptanedioate CAS Name: 2-ethyl-2,6-dimethyl-4-phosphonato-6-(2-phosphonatobutyl)heptanedioate IUPAC Name: 2-ethyl-2,6-dimethyl-4-phosphonato-6-(2-phosphonatobutyl)heptanedioate Traditional Name: 2-ethyl-2,6-dimethyl-4-phosphonato-6-(2-phosphonatobutyl)pimelate Formula: C15H24O10P2-6 MolecularWeight: 426.292582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(CC(CC(C)(CC)C(=O)[O-])P(=O)([O-])[O-])C(=O)[O-])P(=O)([O-])[O-]

Isomeric SMILES

CCC(CC(C)(CC(CC(C)(CC)C(=O)[O-])P(=O)([O-])[O-])C(=O)[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C15H30O10P2/c1-5-10(26(20,21)22)7-15(4,13(18)19)9-11(27(23,24)25)8-14(3,6-2)12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)(H,18,19)(H2,20,21,22)(H2,23,24,25)/p-6