(2-ethylphenyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-ethylphenyl) 4-nitrobenzenesulfonate Openeye Name: (2-ethylphenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-ethylphenyl) ester IUPAC Name: (2-ethylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-ethylphenyl) ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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