methanesulfonate; 4-(4-nitrophenyl)butanoate

Systemtic Name: methanesulfonate; 4-(4-nitrophenyl)butanoate Openeye Name: methanesulfonate; 4-(4-nitrophenyl)butanoate CAS Name: methanesulfonate; 4-(4-nitrophenyl)butanoate IUPAC Name: methanesulfonate; 4-(4-nitrophenyl)butanoate Traditional Name: 4-(4-nitrophenyl)butyrate mesylate Formula: C11H13NO7S-2 MolecularWeight: 303.28842

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC=C1CCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC=C1CCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4.CH4O3S/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15;1-5(2,3)4/h4-7H,1-3H2,(H,12,13);1H3,(H,2,3,4)/p-2