(4-ethylphenyl) 3-nitrobenzenesulfonate

Systemtic Name: (4-ethylphenyl) 3-nitrobenzenesulfonate Openeye Name: (4-ethylphenyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (4-ethylphenyl) ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5S/c1-2-11-6-8-13(9-7-11)20-21(18,19)14-5-3-4-12(10-14)15(16)17/h3-10H,2H2,1H3