4-ethylbenzenesulfonate; tris[3-(dimethylamino)phenyl]sulfanium

Systemtic Name: 4-ethylbenzenesulfonate; tris[3-(dimethylamino)phenyl]sulfanium Openeye Name: 4-ethylbenzenesulfonate; tris[3-(dimethylamino)phenyl]sulfonium CAS Name: 4-ethylbenzenesulfonate; tris[3-(dimethylamino)phenyl]sulfonium IUPAC Name: 4-ethylbenzenesulfonate; tris[3-(dimethylamino)phenyl]sulfanium Traditional Name: 4-ethylbesylate; tris[3-(dimethylamino)phenyl]sulfonium Formula: C32H39N3O3S2 MolecularWeight: 577.80036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C1=CC(=CC=C1)[S+](C2=CC=CC(=C2)N(C)C)C3=CC=CC(=C3)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C1=CC(=CC=C1)[S+](C2=CC=CC(=C2)N(C)C)C3=CC=CC(=C3)N(C)C

InChI

InChI=1S/C24H30N3S.C8H10O3S/c1-25(2)19-10-7-13-22(16-19)28(23-14-8-11-20(17-23)26(3)4)24-15-9-12-21(18-24)27(5)6;1-2-7-3-5-8(6-4-7)12(9,10)11/h7-18H,1-6H3;3-6H,2H2,1H3,(H,9,10,11)/q+1;/p-1