(2-nitrophenyl) 4-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: (2-nitrophenyl) 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: (2-nitrophenyl) 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid (2-nitrophenyl) ester Formula: C13H10ClNO5S MolecularWeight: 327.7402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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