2,4-dimethylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfanium

Systemtic Name: 2,4-dimethylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfanium Openeye Name: 2,4-dimethylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfonium CAS Name: 2,4-dimethylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfonium IUPAC Name: 2,4-dimethylbenzenesulfonate; tris(4-dimethylaminophenyl)sulfanium Traditional Name: 2,4-dimethylbesylate; tris(4-dimethylaminophenyl)sulfonium Formula: C32H39N3O3S2 MolecularWeight: 577.80036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.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-])C.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.C8H10O3S/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;1-6-3-4-8(7(2)5-6)12(9,10)11/h7-18H,1-6H3;3-5H,1-2H3,(H,9,10,11)/q+1;/p-1