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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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