4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonic acid

Systemtic Name: 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonic acid Openeye Name: 3-nitro-4-(p-tolylsulfonyloxy)benzenesulfonic acid CAS Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonic acid IUPAC Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonic acid Traditional Name: 3-nitro-4-tosyloxy-besylic acid Formula: C13H11NO8S2 MolecularWeight: 373.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO8S2/c1-9-2-4-10(5-3-9)24(20,21)22-13-7-6-11(23(17,18)19)8-12(13)14(15)16/h2-8H,1H3,(H,17,18,19)