(4-tert-butyl-2-nitro-phenyl) propane-1-sulfonate

Systemtic Name: (4-tert-butyl-2-nitro-phenyl) propane-1-sulfonate Openeye Name: (4-tert-butyl-2-nitro-phenyl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (4-tert-butyl-2-nitrophenyl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (4-tert-butyl-2-nitro-phenyl) ester Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO5S/c1-5-8-20(17,18)19-12-7-6-10(13(2,3)4)9-11(12)14(15)16/h6-7,9H,5,8H2,1-4H3