(2-chloranyl-4-nitro-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C14H11ClN2O7S MolecularWeight: 386.76434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O7S/c1-8-5-11(17(20)21)7-14(9(8)2)25(22,23)24-13-4-3-10(16(18)19)6-12(13)15/h3-7H,1-2H3