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

Systemtic Name: 4-methylbenzenesulfonate; [4-(oxan-2-yloxy)phenyl]-diphenyl-sulfanium Openeye Name: diphenyl-(4-tetrahydropyran-2-yloxyphenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [4-(2-oxanyloxy)phenyl]-diphenylsulfonium IUPAC Name: 4-methylbenzenesulfonate; [4-(oxan-2-yloxy)phenyl]-diphenylsulfanium Traditional Name: diphenyl-(4-tetrahydropyran-2-yloxyphenyl)sulfonium tosylate Formula: C30H30O5S2 MolecularWeight: 534.6862

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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=CC=C4

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=CC=C4

InChI

InChI=1S/C23H23O2S.C7H8O3S/c1-3-9-20(10-4-1)26(21-11-5-2-6-12-21)22-16-14-19(15-17-22)25-23-13-7-8-18-24-23;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,9-12,14-17,23H,7-8,13,18H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1