tris(3,5-dimethyl-4-oxidanyl-phenyl)sulfanium chloride

Systemtic Name: tris(3,5-dimethyl-4-oxidanyl-phenyl)sulfanium chloride Openeye Name: tris(4-hydroxy-3,5-dimethyl-phenyl)sulfonium chloride CAS Name: tris(4-hydroxy-3,5-dimethylphenyl)sulfonium chloride IUPAC Name: tris(4-hydroxy-3,5-dimethylphenyl)sulfanium chloride Traditional Name: tris(4-hydroxy-3,5-dimethyl-phenyl)sulfonium chloride Formula: C24H27ClO3S MolecularWeight: 430.98738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)[S+](C2=CC(=C(C(=C2)C)O)C)C3=CC(=C(C(=C3)C)O)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[S+](C2=CC(=C(C(=C2)C)O)C)C3=CC(=C(C(=C3)C)O)C.[Cl-]

InChI

InChI=1S/C24H26O3S.ClH/c1-13-7-19(8-14(2)22(13)25)28(20-9-15(3)23(26)16(4)10-20)21-11-17(5)24(27)18(6)12-21;/h7-12H,1-6H3,(H2-,25,26,27);1H