4-methylbenzenesulfonate; (4-methyl-2,3-diphenyl-phenyl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (4-methyl-2,3-diphenyl-phenyl)sulfanium Openeye Name: 4-methylbenzenesulfonate; (4-methyl-2,3-diphenyl-phenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; (4-methyl-2,3-diphenylphenyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; (4-methyl-2,3-diphenylphenyl)sulfanium Traditional Name: (4-methyl-2,3-diphenyl-phenyl)sulfonium tosylate Formula: C26H24O3S2 MolecularWeight: 448.59696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C(C=C1)[SH2+])C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C(C=C1)[SH2+])C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H16S.C7H8O3S/c1-14-12-13-17(20)19(16-10-6-3-7-11-16)18(14)15-8-4-2-5-9-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-13,20H,1H3;2-5H,1H3,(H,8,9,10)