octane-1-sulfonate; tris(4-methoxyphenyl)sulfanium

Systemtic Name: octane-1-sulfonate; tris(4-methoxyphenyl)sulfanium Openeye Name: octane-1-sulfonate; tris(4-methoxyphenyl)sulfonium CAS Name: 1-octanesulfonate; tris(4-methoxyphenyl)sulfonium IUPAC Name: octane-1-sulfonate; tris(4-methoxyphenyl)sulfanium Traditional Name: octane-1-sulfonate; tris(4-methoxyphenyl)sulfonium Formula: C29H38O6S2 MolecularWeight: 546.73842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCS(=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.C8H18O3S/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;1-2-3-4-5-6-7-8-12(9,10)11/h4-15H,1-3H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1