2-(hydroxymethyl)-2-[[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]amino]propane-1,3-diol

Systemtic Name: 2-(hydroxymethyl)-2-[[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]amino]propane-1,3-diol Openeye Name: 2-(hydroxymethyl)-2-[2-nitro-4-(3-nitrophenyl)sulfonyl-anilino]propane-1,3-diol CAS Name: 2-(hydroxymethyl)-2-[2-nitro-4-(3-nitrophenyl)sulfonylanilino]propane-1,3-diol IUPAC Name: 2-(hydroxymethyl)-2-[2-nitro-4-(3-nitrophenyl)sulfonylanilino]propane-1,3-diol Traditional Name: 2-methylol-2-[2-nitro-4-(3-nitrophenyl)sulfonyl-anilino]propane-1,3-diol Formula: C16H17N3O9S MolecularWeight: 427.38588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)NC(CO)(CO)CO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)NC(CO)(CO)CO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O9S/c20-8-16(9-21,10-22)17-14-5-4-13(7-15(14)19(25)26)29(27,28)12-3-1-2-11(6-12)18(23)24/h1-7,17,20-22H,8-10H2