(2-methylphenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-methylphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: o-tolyl 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid o-tolyl ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C

InChI

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