(3-nitrophenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate

Systemtic Name: (3-nitrophenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate Openeye Name: (3-nitrophenyl) 3-chloro-4-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-chloro-4-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid (3-nitrophenyl) ester Formula: C13H9ClN2O7S MolecularWeight: 372.73776

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O7S/c1-8-12(14)6-11(7-13(8)16(19)20)24(21,22)23-10-4-2-3-9(5-10)15(17)18/h2-7H,1H3