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

Systemtic Name: 4-methylbenzenesulfonate; tris[4-(oxolan-2-yloxy)phenyl]sulfanium Openeye Name: 4-methylbenzenesulfonate; tris(4-tetrahydrofuran-2-yloxyphenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; tris[4-(2-oxolanyloxy)phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; tris[4-(oxolan-2-yloxy)phenyl]sulfanium Traditional Name: tris[4-(tetrahydrofuryloxy)phenyl]sulfonium tosylate Formula: C37H40O9S2 MolecularWeight: 692.8381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(OC1)OC2=CC=C(C=C2)[S+](C3=CC=C(C=C3)OC4CCCO4)C5=CC=C(C=C5)OC6CCCO6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(OC1)OC2=CC=C(C=C2)[S+](C3=CC=C(C=C3)OC4CCCO4)C5=CC=C(C=C5)OC6CCCO6

InChI

InChI=1S/C30H33O6S.C7H8O3S/c1-4-28(31-19-1)34-22-7-13-25(14-8-22)37(26-15-9-23(10-16-26)35-29-5-2-20-32-29)27-17-11-24(12-18-27)36-30-6-3-21-33-30;1-6-2-4-7(5-3-6)11(8,9)10/h7-18,28-30H,1-6,19-21H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1