2,6-dimethyl-6-oxidanidyl-4-phosphonato-2-(2-phosphonatobutyl)octanoate

Systemtic Name: 2,6-dimethyl-6-oxidanidyl-4-phosphonato-2-(2-phosphonatobutyl)octanoate Openeye Name: 2,6-dimethyl-6-oxido-4-phosphonato-2-(2-phosphonatobutyl)octanoate CAS Name: 2,6-dimethyl-6-oxido-4-phosphonato-2-(2-phosphonatobutyl)octanoate IUPAC Name: 2,6-dimethyl-6-oxido-4-phosphonato-2-(2-phosphonatobutyl)octanoate Traditional Name: 2,6-dimethyl-6-oxido-4-phosphonato-2-(2-phosphonatobutyl)caprylate Formula: C14H24O9P2-6 MolecularWeight: 398.282482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29O9P2/c1-5-10(24(18,19)20)7-13(3,12(15)16)8-11(25(21,22)23)9-14(4,17)6-2/h10-11H,5-9H2,1-4H3,(H,15,16)(H2,18,19,20)(H2,21,22,23)/q-1/p-5