4-methylbenzenesulfonate; tris(4-hydroxyphenyl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; tris(4-hydroxyphenyl)sulfanium Openeye Name: 4-methylbenzenesulfonate; tris(4-hydroxyphenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; tris(4-hydroxyphenyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; tris(4-hydroxyphenyl)sulfanium Traditional Name: tris(4-hydroxyphenyl)sulfonium tosylate Formula: C25H22O6S2 MolecularWeight: 482.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1O)[S+](C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1O)[S+](C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H14O3S.C7H8O3S/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-12H,(H2-,19,20,21);2-5H,1H3,(H,8,9,10)