4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate; triphenylsulfanium

Systemtic Name: 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate; triphenylsulfanium Openeye Name: 3-nitro-4-(p-tolylsulfonyloxy)benzenesulfonate; triphenylsulfonium CAS Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate; triphenylsulfonium IUPAC Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate; triphenylsulfanium Traditional Name: 3-nitro-4-tosyloxy-besylate; triphenylsulfonium Formula: C31H25NO8S3 MolecularWeight: 635.7271

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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-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15S.C13H11NO8S2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-2-4-10(5-3-9)24(20,21)22-13-7-6-11(23(17,18)19)8-12(13)14(15)16/h1-15H;2-8H,1H3,(H,17,18,19)/q+1;/p-1