[5-[azanyl(diphosphono)methyl]-1,1-diphosphono-heptyl]-carboxy-carbamic acid

Systemtic Name: [5-[azanyl(diphosphono)methyl]-1,1-diphosphono-heptyl]-carboxy-carbamic acid Openeye Name: [5-[amino(diphosphono)methyl]-1,1-diphosphono-heptyl]-carboxy-carbamic acid CAS Name: [5-[amino(diphosphono)methyl]-1,1-diphosphonoheptyl]-carboxycarbamic acid IUPAC Name: [5-[amino(diphosphono)methyl]-1,1-diphosphonoheptyl]-carboxycarbamic acid Traditional Name: [5-[amino(diphosphono)methyl]-1,1-diphosphono-heptyl]-carboxy-carbamic acid Formula: C10H24N2O16P4 MolecularWeight: 552.196404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(N(C(=O)O)C(=O)O)(P(=O)(O)O)P(=O)(O)O)C(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CCCC(N(C(=O)O)C(=O)O)(P(=O)(O)O)P(=O)(O)O)C(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H24N2O16P4/c1-2-6(10(11,31(23,24)25)32(26,27)28)4-3-5-9(29(17,18)19,30(20,21)22)12(7(13)14)8(15)16/h6H,2-5,11H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)