[4-[bis(3-methylbutyl)amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[bis(3-methylbutyl)amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(diisopentylamino)-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-[bis(3-methylbutyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[bis(3-methylbutyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(diisoamylamino)-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C14H33NO7P2 MolecularWeight: 389.361842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)CCC(C)C

Isomeric SMILES

CC(C)CCN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)CCC(C)C

InChI

InChI=1S/C14H33NO7P2/c1-12(2)6-10-15(11-7-13(3)4)9-5-8-14(16,23(17,18)19)24(20,21)22/h12-13,16H,5-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)