4-butylbenzenesulfonate; tris(4-methoxyphenyl)sulfanium

Systemtic Name: 4-butylbenzenesulfonate; tris(4-methoxyphenyl)sulfanium Openeye Name: 4-butylbenzenesulfonate; tris(4-methoxyphenyl)sulfonium CAS Name: 4-butylbenzenesulfonate; tris(4-methoxyphenyl)sulfonium IUPAC Name: 4-butylbenzenesulfonate; tris(4-methoxyphenyl)sulfanium Traditional Name: 4-butylbesylate; tris(4-methoxyphenyl)sulfonium Formula: C31H34O6S2 MolecularWeight: 566.72806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21O3S.C10H14O3S/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h4-15H,1-3H3;5-8H,2-4H2,1H3,(H,11,12,13)/q+1;/p-1