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

Systemtic Name: [[(4-butylphenyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [(4-butylanilino)-phosphono-methyl]phosphonic acid CAS Name: [(4-butylanilino)-phosphonomethyl]phosphonic acid IUPAC Name: [(4-butylanilino)-phosphonomethyl]phosphonic acid Traditional Name: [(4-butylanilino)-phosphono-methyl]phosphonic acid Formula: C11H19NO6P2 MolecularWeight: 323.219182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H19NO6P2/c1-2-3-4-9-5-7-10(8-6-9)12-11(19(13,14)15)20(16,17)18/h5-8,11-12H,2-4H2,1H3,(H2,13,14,15)(H2,16,17,18)