4-methoxybenzenesulfonate; tris(2-tert-butylphenyl)sulfanium

Systemtic Name: 4-methoxybenzenesulfonate; tris(2-tert-butylphenyl)sulfanium Openeye Name: 4-methoxybenzenesulfonate; tris(2-tert-butylphenyl)sulfonium CAS Name: 4-methoxybenzenesulfonate; tris(2-tert-butylphenyl)sulfonium IUPAC Name: 4-methoxybenzenesulfonate; tris(2-tert-butylphenyl)sulfanium Traditional Name: 4-methoxybesylate; tris(2-tert-butylphenyl)sulfonium Formula: C37H46O4S2 MolecularWeight: 618.88874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1[S+](C2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3C(C)(C)C.COC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1[S+](C2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3C(C)(C)C.COC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39S.C7H8O4S/c1-28(2,3)22-16-10-13-19-25(22)31(26-20-14-11-17-23(26)29(4,5)6)27-21-15-12-18-24(27)30(7,8)9;1-11-6-2-4-7(5-3-6)12(8,9)10/h10-21H,1-9H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1