(2-nitrophenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-nitrophenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2-nitrophenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2-nitrophenyl) ester Formula: C13H10N2O7S MolecularWeight: 338.2927

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O7S/c1-9-6-7-10(8-12(9)15(18)19)23(20,21)22-13-5-3-2-4-11(13)14(16)17/h2-8H,1H3