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

Systemtic Name: (4-chloranyl-2-methyl-5-nitro-phenyl)methanesulfonate Openeye Name: (4-chloro-2-methyl-5-nitro-phenyl)methanesulfonate CAS Name: (4-chloro-2-methyl-5-nitrophenyl)methanesulfonate IUPAC Name: (4-chloro-2-methyl-5-nitrophenyl)methanesulfonate Traditional Name: (4-chloro-2-methyl-5-nitro-phenyl)methanesulfonate Formula: C8H7ClNO5S- MolecularWeight: 264.66288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CS(=O)(=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1CS(=O)(=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C8H8ClNO5S/c1-5-2-7(9)8(10(11)12)3-6(5)4-16(13,14)15/h2-3H,4H2,1H3,(H,13,14,15)/p-1