(2-methoxyphenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-methoxyphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-methoxyphenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-methoxyphenyl) ester Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2OC

InChI

InChI=1S/C14H13NO6S/c1-10-7-8-11(15(16)17)9-14(10)22(18,19)21-13-6-4-3-5-12(13)20-2/h3-9H,1-2H3