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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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