2-[(2,4-dinitrophenyl)amino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]ethylsulfanylphosphonic acid Openeye Name: 2-(2,4-dinitroanilino)ethylsulfanylphosphonic acid CAS Name: [2-(2,4-dinitroanilino)ethylthio]phosphonic acid IUPAC Name: 2-(2,4-dinitroanilino)ethylsulfanylphosphonic acid Traditional Name: [2-(2,4-dinitroanilino)ethylthio]phosphonic acid Formula: C8H10N3O7PS MolecularWeight: 323.219661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCSP(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCSP(=O)(O)O

InChI

InChI=1S/C8H10N3O7PS/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-20-19(16,17)18/h1-2,5,9H,3-4H2,(H2,16,17,18)