[(butan-2-ylamino)-(2-nitrophenoxy)phosphoryl]sulfanylphosphonamidic acid; ethane

Systemtic Name: [(butan-2-ylamino)-(2-nitrophenoxy)phosphoryl]sulfanylphosphonamidic acid; ethane Openeye Name: ethane; [(2-nitrophenoxy)-(sec-butylamino)phosphoryl]sulfanylphosphonamidic acid CAS Name: [[(butan-2-ylamino)-(2-nitrophenoxy)phosphoryl]thio]phosphonamidic acid; ethane IUPAC Name: [(butan-2-ylamino)-(2-nitrophenoxy)phosphoryl]sulfanylphosphonamidic acid; ethane Traditional Name: ethane; [[(2-nitrophenoxy)-(sec-butylamino)phosphoryl]thio]phosphonamidic acid Formula: C12H23N3O6P2S MolecularWeight: 399.340042

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCC(C)NP(=O)(OC1=CC=CC=C1[N+](=O)[O-])SP(=O)(N)O

Isomeric SMILES

CC.CCC(C)NP(=O)(OC1=CC=CC=C1[N+](=O)[O-])SP(=O)(N)O

InChI

InChI=1S/C10H17N3O6P2S.C2H6/c1-3-8(2)12-21(18,22-20(11,16)17)19-10-7-5-4-6-9(10)13(14)15;1-2/h4-8H,3H2,1-2H3,(H,12,18)(H3,11,16,17);1-2H3