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

Systemtic Name: 4-methylbenzenesulfonate; tris[4-(oxan-2-yloxy)phenyl]sulfanium Openeye Name: 4-methylbenzenesulfonate; tris(4-tetrahydropyran-2-yloxyphenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; tris[4-(2-oxanyloxy)phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; tris[4-(oxan-2-yloxy)phenyl]sulfanium Traditional Name: tris(4-tetrahydropyran-2-yloxyphenyl)sulfonium tosylate Formula: C40H46O9S2 MolecularWeight: 734.91784

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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=C(C=C3)OC4CCCCO4)C5=CC=C(C=C5)OC6CCCCO6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCOC(C1)OC2=CC=C(C=C2)[S+](C3=CC=C(C=C3)OC4CCCCO4)C5=CC=C(C=C5)OC6CCCCO6

InChI

InChI=1S/C33H39O6S.C7H8O3S/c1-4-22-34-31(7-1)37-25-10-16-28(17-11-25)40(29-18-12-26(13-19-29)38-32-8-2-5-23-35-32)30-20-14-27(15-21-30)39-33-9-3-6-24-36-33;1-6-2-4-7(5-3-6)11(8,9)10/h10-21,31-33H,1-9,22-24H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1