[(octan-2-ylamino)-phosphono-methyl]phosphonic acid

Systemtic Name: [(octan-2-ylamino)-phosphono-methyl]phosphonic acid Openeye Name: [(1-methylheptylamino)-phosphono-methyl]phosphonic acid CAS Name: [(octan-2-ylamino)-phosphonomethyl]phosphonic acid IUPAC Name: [(octan-2-ylamino)-phosphonomethyl]phosphonic acid Traditional Name: [(1-methylheptylamino)-phosphono-methyl]phosphonic acid Formula: C9H23NO6P2 MolecularWeight: 303.229542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCC(C)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H23NO6P2/c1-3-4-5-6-7-8(2)10-9(17(11,12)13)18(14,15)16/h8-10H,3-7H2,1-2H3,(H2,11,12,13)(H2,14,15,16)