[4-azanyl-4-[bis(azanyl)-phosphono-methyl]-3-hexyl-decyl]phosphonic acid

Systemtic Name: [4-azanyl-4-[bis(azanyl)-phosphono-methyl]-3-hexyl-decyl]phosphonic acid Openeye Name: [4-amino-4-[diamino(phosphono)methyl]-3-hexyl-decyl]phosphonic acid CAS Name: [4-amino-4-[diamino(phosphono)methyl]-3-hexyldecyl]phosphonic acid IUPAC Name: [4-amino-4-[diamino(phosphono)methyl]-3-hexyldecyl]phosphonic acid Traditional Name: [4-amino-4-[diamino(phosphono)methyl]-3-hexyl-decyl]phosphonic acid Formula: C17H41N3O6P2 MolecularWeight: 445.471462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCP(=O)(O)O)C(CCCCCC)(C(N)(N)P(=O)(O)O)N

Isomeric SMILES

CCCCCCC(CCP(=O)(O)O)C(CCCCCC)(C(N)(N)P(=O)(O)O)N

InChI

InChI=1S/C17H41N3O6P2/c1-3-5-7-9-11-15(12-14-27(21,22)23)16(18,13-10-8-6-4-2)17(19,20)28(24,25)26/h15H,3-14,18-20H2,1-2H3,(H2,21,22,23)(H2,24,25,26)