[(butan-2-ylamino)-(4-methyl-2-nitro-phenoxy)phosphoryl]sulfanylphosphonamidic acid

Systemtic Name: [(butan-2-ylamino)-(4-methyl-2-nitro-phenoxy)phosphoryl]sulfanylphosphonamidic acid Openeye Name: [(4-methyl-2-nitro-phenoxy)-(sec-butylamino)phosphoryl]sulfanylphosphonamidic acid CAS Name: [[(butan-2-ylamino)-(4-methyl-2-nitrophenoxy)phosphoryl]thio]phosphonamidic acid IUPAC Name: [(butan-2-ylamino)-(4-methyl-2-nitrophenoxy)phosphoryl]sulfanylphosphonamidic acid Traditional Name: [[(4-methyl-2-nitro-phenoxy)-(sec-butylamino)phosphoryl]thio]phosphonamidic acid Formula: C11H19N3O6P2S MolecularWeight: 383.297582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O6P2S/c1-4-9(3)13-22(19,23-21(12,17)18)20-11-6-5-8(2)7-10(11)14(15)16/h5-7,9H,4H2,1-3H3,(H,13,19)(H3,12,17,18)