(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-nitrobenzenesulfonate

Systemtic Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-nitrobenzenesulfonate Openeye Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H15NO7S/c1-12(2)18-7-10(20-12)8-19-21(16,17)11-5-3-9(4-6-11)13(14)15/h3-6,10H,7-8H2,1-2H3