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

Systemtic Name: [3-(dimethylamino)phenyl]-bis[4-(oxan-2-yloxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-(dimethylamino)phenyl]-bis(4-tetrahydropyran-2-yloxyphenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: [3-(dimethylamino)phenyl]-bis[4-(2-oxanyloxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-(dimethylamino)phenyl]-bis[4-(oxan-2-yloxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [3-(dimethylamino)phenyl]-bis(4-tetrahydropyran-2-yloxyphenyl)sulfonium tosylate Formula: C37H43NO7S2 MolecularWeight: 677.86982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C1=CC(=CC=C1)[S+](C2=CC=C(C=C2)OC3CCCCO3)C4=CC=C(C=C4)OC5CCCCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C1=CC(=CC=C1)[S+](C2=CC=C(C=C2)OC3CCCCO3)C4=CC=C(C=C4)OC5CCCCO5

InChI

InChI=1S/C30H36NO4S.C7H8O3S/c1-31(2)23-8-7-9-28(22-23)36(26-16-12-24(13-17-26)34-29-10-3-5-20-32-29)27-18-14-25(15-19-27)35-30-11-4-6-21-33-30;1-6-2-4-7(5-3-6)11(8,9)10/h7-9,12-19,22,29-30H,3-6,10-11,20-21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1