N-ethyl-N-octan-2-yl-2,2-diphosphonato-octanamide

Systemtic Name: N-ethyl-N-octan-2-yl-2,2-diphosphonato-octanamide Openeye Name: N-ethyl-N-(1-methylheptyl)-2,2-diphosphonato-octanamide CAS Name: N-ethyl-N-octan-2-yl-2,2-diphosphonatooctanamide IUPAC Name: N-ethyl-N-octan-2-yl-2,2-diphosphonatooctanamide Traditional Name: N-ethyl-N-(1-methylheptyl)-2,2-diphosphonato-caprylamide Formula: C18H35NO7P2-4 MolecularWeight: 439.420522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N(CC)C(=O)C(CCCCCC)(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCC(C)N(CC)C(=O)C(CCCCCC)(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C18H39NO7P2/c1-5-8-10-12-14-16(4)19(7-3)17(20)18(27(21,22)23,28(24,25)26)15-13-11-9-6-2/h16H,5-15H2,1-4H3,(H2,21,22,23)(H2,24,25,26)/p-4