(4-tert-butyl-2-nitro-phenyl) ethanesulfonate

Systemtic Name: (4-tert-butyl-2-nitro-phenyl) ethanesulfonate Openeye Name: (4-tert-butyl-2-nitro-phenyl) ethanesulfonate CAS Name: ethanesulfonic acid (4-tert-butyl-2-nitrophenyl) ester IUPAC Name: (4-tert-butyl-2-nitrophenyl) ethanesulfonate Traditional Name: ethanesulfonic acid (4-tert-butyl-2-nitro-phenyl) ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17NO5S/c1-5-19(16,17)18-11-7-6-9(12(2,3)4)8-10(11)13(14)15/h6-8H,5H2,1-4H3