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

Systemtic Name: 4-methylbenzenesulfonate; tris[3-(oxan-2-yloxy)phenyl]sulfanium Openeye Name: 4-methylbenzenesulfonate; tris(3-tetrahydropyran-2-yloxyphenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; tris[3-(2-oxanyloxy)phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; tris[3-(oxan-2-yloxy)phenyl]sulfanium Traditional Name: tris(3-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(=CC=C2)[S+](C3=CC=CC(=C3)OC4CCCCO4)C5=CC=CC(=C5)OC6CCCCO6

Isomeric SMILES

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

InChI

InChI=1S/C33H39O6S.C7H8O3S/c1-4-19-34-31(16-1)37-25-10-7-13-28(22-25)40(29-14-8-11-26(23-29)38-32-17-2-5-20-35-32)30-15-9-12-27(24-30)39-33-18-3-6-21-36-33;1-6-2-4-7(5-3-6)11(8,9)10/h7-15,22-24,31-33H,1-6,16-21H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1