4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: 4-(4-methylphenyl)sulfonyloxy-3-nitro-benzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 3-nitro-4-(p-tolylsulfonyloxy)benzenesulfonate; tris-p-tolylsulfonium CAS Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 4-(4-methylphenyl)sulfonyloxy-3-nitrobenzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 3-nitro-4-tosyloxy-besylate; tris-p-tolylsulfonium Formula: C34H31NO8S3 MolecularWeight: 677.80684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H21S.C13H11NO8S2/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;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/h4-15H,1-3H3;2-8H,1H3,(H,17,18,19)/q+1;/p-1