[[(4-butylphenyl)carbonylamino]methyl-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [[(4-butylphenyl)carbonylamino]methyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [[(4-butylbenzoyl)amino]methyl-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [[[(4-butylphenyl)-oxomethyl]amino]methyl-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [[(4-butylbenzoyl)amino]methyl-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [[(4-butylbenzoyl)amino]methyl-hydroxy-phosphoryl]methylphosphonic acid Formula: C13H21NO6P2 MolecularWeight: 349.256462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NCP(=O)(CP(=O)(O)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NCP(=O)(CP(=O)(O)O)O

InChI

InChI=1S/C13H21NO6P2/c1-2-3-4-11-5-7-12(8-6-11)13(15)14-9-21(16,17)10-22(18,19)20/h5-8H,2-4,9-10H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)