2-azanyl-2-diethoxyphosphoryl-ethanenitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-2-diethoxyphosphoryl-ethanenitrile; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-2-diethoxyphosphoryl-acetonitrile; 4-methylbenzenesulfonic acid CAS Name: 2-amino-2-diethoxyphosphorylacetonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-2-diethoxyphosphorylacetonitrile; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-2-diethoxyphosphoryl-acetonitrile; tosylic acid Formula: C13H21N2O6PS MolecularWeight: 364.354401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H13N2O3P/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-10-12(9,11-4-2)6(8)5-7/h2-5H,1H3,(H,8,9,10);6H,3-4,8H2,1-2H3