(2-chloranyl-4-nitro-phenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 3-chloro-4-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3-chloro-4-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C13H8Cl2N2O7S MolecularWeight: 407.18282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8Cl2N2O7S/c1-7-10(14)5-9(6-12(7)17(20)21)25(22,23)24-13-3-2-8(16(18)19)4-11(13)15/h2-6H,1H3