4-methylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfanium Openeye Name: 4-methylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfanium Traditional Name: tris(4-dimethylaminophenyl)sulfonium tosylate Formula: C31H37N3O3S2 MolecularWeight: 563.77378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N3S.C7H8O3S/c1-25(2)19-7-13-22(14-8-19)28(23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-18H,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1