benzene; [2-cyano-1-(sulfinylamino)ethyl]phosphonic acid

Systemtic Name: benzene; [2-cyano-1-(sulfinylamino)ethyl]phosphonic acid Openeye Name: benzene; [2-cyano-1-(sulfinylamino)ethyl]phosphonic acid CAS Name: benzene; [2-cyano-1-(sulfinylamino)ethyl]phosphonic acid IUPAC Name: benzene; [2-cyano-1-(sulfinylamino)ethyl]phosphonic acid Traditional Name: benzene; [2-cyano-1-(sulfinylamino)ethyl]phosphonic acid Formula: C9H11N2O4PS MolecularWeight: 274.233401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C(C#N)C(N=S=O)P(=O)(O)O

Isomeric SMILES

C1=CC=CC=C1.C(C#N)C(N=S=O)P(=O)(O)O

InChI

InChI=1S/C6H6.C3H5N2O4PS/c1-2-4-6-5-3-1;4-2-1-3(5-11-9)10(6,7)8/h1-6H;3H,1H2,(H2,6,7,8)