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

Systemtic Name: 2-(4-chloranyl-2-methyl-5-nitro-phenyl)benzenesulfonate Openeye Name: 2-(4-chloro-2-methyl-5-nitro-phenyl)benzenesulfonate CAS Name: 2-(4-chloro-2-methyl-5-nitrophenyl)benzenesulfonate IUPAC Name: 2-(4-chloro-2-methyl-5-nitrophenyl)benzenesulfonate Traditional Name: 2-(4-chloro-2-methyl-5-nitro-phenyl)besylate Formula: C13H9ClNO5S- MolecularWeight: 326.73226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=CC=C2S(=O)(=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=CC=C2S(=O)(=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClNO5S/c1-8-6-11(14)12(15(16)17)7-10(8)9-4-2-3-5-13(9)21(18,19)20/h2-7H,1H3,(H,18,19,20)/p-1