(4-methoxyphenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-methoxyphenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate Openeye Name: (4-methoxyphenyl) 3-chloro-4-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 3-chloro-4-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid (4-methoxyphenyl) ester Formula: C14H12ClNO6S MolecularWeight: 357.76618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClNO6S/c1-9-13(15)7-12(8-14(9)16(17)18)23(19,20)22-11-5-3-10(21-2)4-6-11/h3-8H,1-2H3