N'-(6-azanylhexyl)hexane-1,6-diamine; 5-phosphonopentylphosphonic acid

Systemtic Name: N'-(6-azanylhexyl)hexane-1,6-diamine; 5-phosphonopentylphosphonic acid Openeye Name: N'-(6-aminohexyl)hexane-1,6-diamine; 5-phosphonopentylphosphonic acid CAS Name: N'-(6-aminohexyl)hexane-1,6-diamine; 5-phosphonopentylphosphonic acid IUPAC Name: N'-(6-aminohexyl)hexane-1,6-diamine; 5-phosphonopentylphosphonic acid Traditional Name: bis(6-aminohexyl)amine; 5-phosphonopentylphosphonic acid Formula: C17H43N3O6P2 MolecularWeight: 447.487342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCNCCCCCCN)CCN.C(CCP(=O)(O)O)CCP(=O)(O)O

Isomeric SMILES

C(CCCNCCCCCCN)CCN.C(CCP(=O)(O)O)CCP(=O)(O)O

InChI

InChI=1S/C12H29N3.C5H14O6P2/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;6-12(7,8)4-2-1-3-5-13(9,10)11/h15H,1-14H2;1-5H2,(H2,6,7,8)(H2,9,10,11)