[[(4-butoxyphenyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(4-butoxyphenyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [(4-butoxyanilino)-phosphono-methyl]phosphonic acid CAS Name: [(4-butoxyanilino)-phosphonomethyl]phosphonic acid IUPAC Name: [(4-butoxyanilino)-phosphonomethyl]phosphonic acid Traditional Name: [(4-butoxyanilino)-phosphono-methyl]phosphonic acid Formula: C11H19NO7P2 MolecularWeight: 339.218582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H19NO7P2/c1-2-3-8-19-10-6-4-9(5-7-10)12-11(20(13,14)15)21(16,17)18/h4-7,11-12H,2-3,8H2,1H3,(H2,13,14,15)(H2,16,17,18)