N,N-bis(diphosphonomethyl)-1,1-diphosphono-methanamine oxide

Systemtic Name: N,N-bis(diphosphonomethyl)-1,1-diphosphono-methanamine oxide Openeye Name: N,N-bis(diphosphonomethyl)-1,1-diphosphono-methanamine oxide CAS Name: N,N-bis(diphosphonomethyl)-1,1-diphosphonomethanamine oxide IUPAC Name: N,N-bis(diphosphonomethyl)-1,1-diphosphonomethanamine oxide Traditional Name: N,N-bis(diphosphonomethyl)-1,1-diphosphono-methanamine oxide Formula: C3H15NO19P6 MolecularWeight: 554.989066

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Descriptors Computed from Structure

Canonical SMILES:

C([N+](C(P(=O)(O)O)P(=O)(O)O)(C(P(=O)(O)O)P(=O)(O)O)[O-])(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C([N+](C(P(=O)(O)O)P(=O)(O)O)(C(P(=O)(O)O)P(=O)(O)O)[O-])(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C3H15NO19P6/c5-4(1(24(6,7)8)25(9,10)11,2(26(12,13)14)27(15,16)17)3(28(18,19)20)29(21,22)23/h1-3H,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)