(4-chloranyl-2-methyl-5-nitro-phenyl)methanesulfonic acid

Systemtic Name: (4-chloranyl-2-methyl-5-nitro-phenyl)methanesulfonic acid Openeye Name: (4-chloro-2-methyl-5-nitro-phenyl)methanesulfonic acid CAS Name: (4-chloro-2-methyl-5-nitrophenyl)methanesulfonic acid IUPAC Name: (4-chloro-2-methyl-5-nitrophenyl)methanesulfonic acid Traditional Name: (4-chloro-2-methyl-5-nitro-phenyl)methanesulfonic acid Formula: C8H8ClNO5S MolecularWeight: 265.67082

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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)