bis(4-dimethylaminophenyl)-[4-(oxan-2-yloxy)phenyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: bis(4-dimethylaminophenyl)-[4-(oxan-2-yloxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: bis(4-dimethylaminophenyl)-(4-tetrahydropyran-2-yloxyphenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: bis(4-dimethylaminophenyl)-[4-(2-oxanyloxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis(4-dimethylaminophenyl)-[4-(oxan-2-yloxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: bis(4-dimethylaminophenyl)-(4-tetrahydropyran-2-yloxyphenyl)sulfonium tosylate Formula: C34H40N2O5S2 MolecularWeight: 620.8218

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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)OC4CCCCO4

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)OC4CCCCO4

InChI

InChI=1S/C27H33N2O2S.C7H8O3S/c1-28(2)21-8-14-24(15-9-21)32(25-16-10-22(11-17-25)29(3)4)26-18-12-23(13-19-26)31-27-7-5-6-20-30-27;1-6-2-4-7(5-3-6)11(8,9)10/h8-19,27H,5-7,20H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1