[2-[4-(4-bromanylphenoxy)phenoxy]propanoylamino]methylphosphonic acid

Systemtic Name: [2-[4-(4-bromanylphenoxy)phenoxy]propanoylamino]methylphosphonic acid Openeye Name: [2-[4-(4-bromophenoxy)phenoxy]propanoylamino]methylphosphonic acid CAS Name: [[2-[4-(4-bromophenoxy)phenoxy]-1-oxopropyl]amino]methylphosphonic acid IUPAC Name: [2-[4-(4-bromophenoxy)phenoxy]propanoylamino]methylphosphonic acid Traditional Name: [2-[4-(4-bromophenoxy)phenoxy]propanoylamino]methylphosphonic acid Formula: C16H17BrNO6P MolecularWeight: 430.187041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCP(=O)(O)O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NCP(=O)(O)O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrNO6P/c1-11(16(19)18-10-25(20,21)22)23-13-6-8-15(9-7-13)24-14-4-2-12(17)3-5-14/h2-9,11H,10H2,1H3,(H,18,19)(H2,20,21,22)