ethane; [(4-methyl-2-nitro-phenoxy)-(propan-2-ylamino)phosphoryl]sulfanylphosphonamidic acid

Systemtic Name: ethane; [(4-methyl-2-nitro-phenoxy)-(propan-2-ylamino)phosphoryl]sulfanylphosphonamidic acid Openeye Name: ethane; [(isopropylamino)-(4-methyl-2-nitro-phenoxy)phosphoryl]sulfanylphosphonamidic acid CAS Name: ethane; [[(4-methyl-2-nitrophenoxy)-(propan-2-ylamino)phosphoryl]thio]phosphonamidic acid IUPAC Name: ethane; [(4-methyl-2-nitrophenoxy)-(propan-2-ylamino)phosphoryl]sulfanylphosphonamidic acid Traditional Name: ethane; [[(isopropylamino)-(4-methyl-2-nitro-phenoxy)phosphoryl]thio]phosphonamidic acid Formula: C12H23N3O6P2S MolecularWeight: 399.340042

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC1=CC(=C(C=C1)OP(=O)(NC(C)C)SP(=O)(N)O)[N+](=O)[O-]

Isomeric SMILES

CC.CC1=CC(=C(C=C1)OP(=O)(NC(C)C)SP(=O)(N)O)[N+](=O)[O-]

InChI

InChI=1S/C10H17N3O6P2S.C2H6/c1-7(2)12-21(18,22-20(11,16)17)19-10-5-4-8(3)6-9(10)13(14)15;1-2/h4-7H,1-3H3,(H,12,18)(H3,11,16,17);1-2H3