(4-nitrophenyl) 2,5-dimethylbenzenesulfonate

Systemtic Name: (4-nitrophenyl) 2,5-dimethylbenzenesulfonate Openeye Name: (4-nitrophenyl) 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid (4-nitrophenyl) ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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