phenyl 3-chloranyl-2-methyl-5-nitro-benzenesulfonate

Systemtic Name: phenyl 3-chloranyl-2-methyl-5-nitro-benzenesulfonate Openeye Name: phenyl 3-chloro-2-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-2-methyl-5-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-chloro-2-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-2-methyl-5-nitro-benzenesulfonic acid phenyl ester Formula: C13H10ClNO5S MolecularWeight: 327.7402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2

InChI

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