(2-nitrophenyl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (2-nitrophenyl) 3,4-dimethylbenzenesulfonate Openeye Name: (2-nitrophenyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (2-nitrophenyl) ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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