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

Systemtic Name: bis[3-(oxan-2-yloxy)phenyl]-phenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; phenyl-bis(3-tetrahydropyran-2-yloxyphenyl)sulfonium CAS Name: bis[3-(2-oxanyloxy)phenyl]-phenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[3-(oxan-2-yloxy)phenyl]-phenylsulfanium; 4-methylbenzenesulfonate Traditional Name: phenyl-bis(3-tetrahydropyran-2-yloxyphenyl)sulfonium tosylate Formula: C35H38O7S2 MolecularWeight: 634.80202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCOC(C1)OC2=CC(=CC=C2)[S+](C3=CC=CC=C3)C4=CC=CC(=C4)OC5CCCCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCOC(C1)OC2=CC(=CC=C2)[S+](C3=CC=CC=C3)C4=CC=CC(=C4)OC5CCCCO5

InChI

InChI=1S/C28H31O4S.C7H8O3S/c1-2-12-24(13-3-1)33(25-14-8-10-22(20-25)31-27-16-4-6-18-29-27)26-15-9-11-23(21-26)32-28-17-5-7-19-30-28;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,8-15,20-21,27-28H,4-7,16-19H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1