barium(2+); dibutoxyphosphoryl-(4-nitrophenyl)sulfonyl-azanide

Systemtic Name: barium(2+); dibutoxyphosphoryl-(4-nitrophenyl)sulfonyl-azanide Openeye Name: barium(2+); dibutoxyphosphoryl-(4-nitrophenyl)sulfonyl-azanide CAS Name: barium(2+); dibutoxyphosphoryl-(4-nitrophenyl)sulfonylazanide IUPAC Name: barium(2+); dibutoxyphosphoryl-(4-nitrophenyl)sulfonylazanide Traditional Name: barium(2+); dibutoxyphosphoryl(nosyl)azanide Formula: C28H44BaN4O14P2S2 MolecularWeight: 924.071882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)([N-]S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OCCCC.CCCCOP(=O)([N-]S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OCCCC.[Ba+2]

Isomeric SMILES

CCCCOP(=O)([N-]S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OCCCC.CCCCOP(=O)([N-]S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OCCCC.[Ba+2]

InChI

InChI=1S/2C14H22N2O7PS.Ba/c2*1-3-5-11-22-24(19,23-12-6-4-2)15-25(20,21)14-9-7-13(8-10-14)16(17)18;/h2*7-10H,3-6,11-12H2,1-2H3;/q2*-1;+2