(4-bromophenyl)-diethoxyphosphoryl-methanamine; 4-methylbenzenesulfonic acid

Systemtic Name: (4-bromophenyl)-diethoxyphosphoryl-methanamine; 4-methylbenzenesulfonic acid Openeye Name: (4-bromophenyl)-diethoxyphosphoryl-methanamine; 4-methylbenzenesulfonic acid CAS Name: (4-bromophenyl)-diethoxyphosphorylmethanamine; 4-methylbenzenesulfonic acid IUPAC Name: (4-bromophenyl)-diethoxyphosphorylmethanamine; 4-methylbenzenesulfonic acid Traditional Name: [(4-bromophenyl)-diethoxyphosphoryl-methyl]amine; tosylic acid Formula: C18H25BrNO6PS MolecularWeight: 494.336961

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)Br)N)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOP(=O)(C(C1=CC=C(C=C1)Br)N)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H17BrNO3P.C7H8O3S/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,11H,3-4,13H2,1-2H3;2-5H,1H3,(H,8,9,10)