N'-(3-azanylpropyl)propane-1,3-diamine; phosphonomethylphosphonic acid

Systemtic Name: N'-(3-azanylpropyl)propane-1,3-diamine; phosphonomethylphosphonic acid Openeye Name: N'-(3-aminopropyl)propane-1,3-diamine; phosphonomethylphosphonic acid CAS Name: N'-(3-aminopropyl)propane-1,3-diamine; phosphonomethylphosphonic acid IUPAC Name: N'-(3-aminopropyl)propane-1,3-diamine; phosphonomethylphosphonic acid Traditional Name: bis(3-aminopropyl)amine; phosphonomethylphosphonic acid Formula: C12H53N3O36P12 MolecularWeight: 1187.232852

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)CNCCCN.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CN)CNCCCN.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H17N3.6CH6O6P2/c7-3-1-5-9-6-2-4-8;6*2-8(3,4)1-9(5,6)7/h9H,1-8H2;6*1H2,(H2,2,3,4)(H2,5,6,7)