(3-nitrophenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (3-nitrophenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (3-nitrophenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (3-nitrophenyl) ester Formula: C13H10N2O7S MolecularWeight: 338.2927

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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(=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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