N-ethyl-N-hexan-2-yl-2,2-diphosphonato-hexanamide

Systemtic Name: N-ethyl-N-hexan-2-yl-2,2-diphosphonato-hexanamide Openeye Name: N-ethyl-N-(1-methylpentyl)-2,2-diphosphonato-hexanamide CAS Name: N-ethyl-N-hexan-2-yl-2,2-diphosphonatohexanamide IUPAC Name: N-ethyl-N-hexan-2-yl-2,2-diphosphonatohexanamide Traditional Name: N-ethyl-N-(1-methylpentyl)-2,2-diphosphonato-hexanamide Formula: C14H27NO7P2-4 MolecularWeight: 383.314202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)N(CC)C(=O)C(CCCC)(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CCCCC(C)N(CC)C(=O)C(CCCC)(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C14H31NO7P2/c1-5-8-10-12(4)15(7-3)13(16)14(11-9-6-2,23(17,18)19)24(20,21)22/h12H,5-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4