6-[2,2-diphosphonatoethyl(oxidanidyl)phosphoryl]-1-methyl-hexane-1,3,5-tricarboxylate

Systemtic Name: 6-[2,2-diphosphonatoethyl(oxidanidyl)phosphoryl]-1-methyl-hexane-1,3,5-tricarboxylate Openeye Name: 6-[2,2-diphosphonatoethyl(oxido)phosphoryl]-1-methyl-hexane-1,3,5-tricarboxylate CAS Name: 6-[2,2-diphosphonatoethyl(oxido)phosphoryl]-1-methylhexane-1,3,5-tricarboxylate IUPAC Name: 6-[2,2-diphosphonatoethyl(oxido)phosphoryl]-1-methylhexane-1,3,5-tricarboxylate Traditional Name: 6-[2,2-diphosphonatoethyl(oxido)phosphoryl]-1-methyl-hexane-1,3,5-tricarboxylate Formula: C12H15O14P3-8 MolecularWeight: 476.160383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23O14P3/c1-6(10(13)14)2-7(11(15)16)3-8(12(17)18)4-27(19,20)5-9(28(21,22)23)29(24,25)26/h6-9H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,21,22,23)(H2,24,25,26)/p-8