5-(2-diethoxyphosphorylpropan-2-ylamino)-6,8-dinitro-naphthalene-1-sulfonamide

Systemtic Name: 5-(2-diethoxyphosphorylpropan-2-ylamino)-6,8-dinitro-naphthalene-1-sulfonamide Openeye Name: 5-[(1-diethoxyphosphoryl-1-methyl-ethyl)amino]-6,8-dinitro-naphthalene-1-sulfonamide CAS Name: 5-(2-diethoxyphosphorylpropan-2-ylamino)-6,8-dinitro-1-naphthalenesulfonamide IUPAC Name: 5-(2-diethoxyphosphorylpropan-2-ylamino)-6,8-dinitronaphthalene-1-sulfonamide Traditional Name: 5-[(1-diethoxyphosphoryl-1-methyl-ethyl)amino]-6,8-dinitro-naphthalene-1-sulfonamide Formula: C17H23N4O9PS MolecularWeight: 490.424681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C)(C)NC1=C(C=C(C2=C1C=CC=C2S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C(C)(C)NC1=C(C=C(C2=C1C=CC=C2S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C17H23N4O9PS/c1-5-29-31(26,30-6-2)17(3,4)19-16-11-8-7-9-14(32(18,27)28)15(11)12(20(22)23)10-13(16)21(24)25/h7-10,19H,5-6H2,1-4H3,(H2,18,27,28)