2,4,6-tri(propan-2-yl)benzenesulfonate; tris(2-tert-butylphenyl)sulfanium

Systemtic Name: 2,4,6-tri(propan-2-yl)benzenesulfonate; tris(2-tert-butylphenyl)sulfanium Openeye Name: 2,4,6-triisopropylbenzenesulfonate; tris(2-tert-butylphenyl)sulfonium CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonate; tris(2-tert-butylphenyl)sulfonium IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonate; tris(2-tert-butylphenyl)sulfanium Traditional Name: 2,4,6-triisopropylbesylate; tris(2-tert-butylphenyl)sulfonium Formula: C45H62O3S2 MolecularWeight: 715.10198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39S.C15H24O3S/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;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h10-21H,1-9H3;7-11H,1-6H3,(H,16,17,18)/q+1;/p-1