2-[[[(3,4-dimethylphenyl)peroxy-oxidanyl-phosphoryl]-oxidanyl-methyl]amino]ethanoic acid hydrate

Systemtic Name: 2-[[[(3,4-dimethylphenyl)peroxy-oxidanyl-phosphoryl]-oxidanyl-methyl]amino]ethanoic acid hydrate Openeye Name: 2-[[[(3,4-dimethylphenyl)peroxy-hydroxy-phosphoryl]-hydroxy-methyl]amino]acetic acid hydrate CAS Name: 2-[[[(3,4-dimethylphenyl)dioxy-hydroxyphosphoryl]-hydroxymethyl]amino]acetic acid hydrate IUPAC Name: 2-[[[(3,4-dimethylphenyl)peroxy-hydroxyphosphoryl]-hydroxymethyl]amino]acetic acid hydrate Traditional Name: 2-[[[(3,4-dimethylphenyl)peroxy-hydroxy-phosphoryl]-hydroxy-methyl]amino]acetic acid hydrate Formula: C11H18NO8P MolecularWeight: 323.236281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OOP(=O)(C(NCC(=O)O)O)O)C.O

Isomeric SMILES

CC1=C(C=C(C=C1)OOP(=O)(C(NCC(=O)O)O)O)C.O

InChI

InChI=1S/C11H16NO7P.H2O/c1-7-3-4-9(5-8(7)2)18-19-20(16,17)11(15)12-6-10(13)14;/h3-5,11-12,15H,6H2,1-2H3,(H,13,14)(H,16,17);1H2