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

Systemtic Name: [(4-bromanyl-2-nitro-phenoxy)-(propan-2-ylamino)phosphoryl]sulfanylphosphonamidic acid; ethane Openeye Name: [(4-bromo-2-nitro-phenoxy)-(isopropylamino)phosphoryl]sulfanylphosphonamidic acid; ethane CAS Name: [[(4-bromo-2-nitrophenoxy)-(propan-2-ylamino)phosphoryl]thio]phosphonamidic acid; ethane IUPAC Name: [(4-bromo-2-nitrophenoxy)-(propan-2-ylamino)phosphoryl]sulfanylphosphonamidic acid; ethane Traditional Name: [[(4-bromo-2-nitro-phenoxy)-(isopropylamino)phosphoryl]thio]phosphonamidic acid; ethane Formula: C11H20BrN3O6P2S MolecularWeight: 464.209522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14BrN3O6P2S.C2H6/c1-6(2)12-21(18,22-20(11,16)17)19-9-4-3-7(10)5-8(9)13(14)15;1-2/h3-6H,1-2H3,(H,12,18)(H3,11,16,17);1-2H3