2,2-dimethylpropyl (4-nitrophenyl)methanesulfonate

Systemtic Name: 2,2-dimethylpropyl (4-nitrophenyl)methanesulfonate Openeye Name: 2,2-dimethylpropyl (4-nitrophenyl)methanesulfonate CAS Name: (4-nitrophenyl)methanesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (4-nitrophenyl)methanesulfonate Traditional Name: (4-nitrophenyl)methanesulfonic acid neopentyl ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)COS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H17NO5S/c1-12(2,3)9-18-19(16,17)8-10-4-6-11(7-5-10)13(14)15/h4-7H,8-9H2,1-3H3