(4-nitrophenyl) 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: (4-nitrophenyl) 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: (4-nitrophenyl) 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid (4-nitrophenyl) ester Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O7S/c1-9-7-12(16(19)20)8-14(10(9)2)24(21,22)23-13-5-3-11(4-6-13)15(17)18/h3-8H,1-2H3