2-nitrobenzenesulfonate; propane-1,2,3-triol; carbonate

Systemtic Name: 2-nitrobenzenesulfonate; propane-1,2,3-triol; carbonate Openeye Name: glycerol; 2-nitrobenzenesulfonate; carbonate CAS Name: 2-nitrobenzenesulfonate; propane-1,2,3-triol; carbonate IUPAC Name: 2-nitrobenzenesulfonate; propane-1,2,3-triol; carbonate Traditional Name: glycerol; 2-nitrobesylate; carbonate Formula: C10H12NO11S-3 MolecularWeight: 354.26738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO5S.C3H8O3.CH2O3/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;4-1-3(6)2-5;2-1(3)4/h1-4H,(H,10,11,12);3-6H,1-2H2;(H2,2,3,4)/p-3