2-dodecylbenzenesulfonate; tris(2-tert-butylphenyl)sulfanium

Systemtic Name: 2-dodecylbenzenesulfonate; tris(2-tert-butylphenyl)sulfanium Openeye Name: 2-dodecylbenzenesulfonate; tris(2-tert-butylphenyl)sulfonium CAS Name: 2-dodecylbenzenesulfonate; tris(2-tert-butylphenyl)sulfonium IUPAC Name: 2-dodecylbenzenesulfonate; tris(2-tert-butylphenyl)sulfanium Traditional Name: 2-laurylbesylate; tris(2-tert-butylphenyl)sulfonium Formula: C48H68O3S2 MolecularWeight: 757.18172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC(C)(C)C1=CC=CC=C1[S+](C2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].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.C18H30O3S/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;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h10-21H,1-9H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/q+1;/p-1