phenyl 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: phenyl 4-methyl-3-nitro-benzenesulfonate Openeye Name: phenyl 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid phenyl ester Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO5S/c1-10-7-8-12(9-13(10)14(15)16)20(17,18)19-11-5-3-2-4-6-11/h2-9H,1H3