(4-tert-butylphenyl) octane-1-sulfonate; diphenylsulfanium

Systemtic Name: (4-tert-butylphenyl) octane-1-sulfonate; diphenylsulfanium Openeye Name: (4-tert-butylphenyl) octane-1-sulfonate; diphenylsulfonium CAS Name: diphenylsulfonium; 1-octanesulfonic acid IUPAC Name: (4-tert-butylphenyl) octane-1-sulfonate; diphenylsulfanium Traditional Name: diphenylsulfonium; octane-1-sulfonic acid (4-tert-butylphenyl) ester Formula: C30H41O3S2+ MolecularWeight: 513.77474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(C)(C)C.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(C)(C)C.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

InChI

InChI=1S/C18H30O3S.C12H10S/c1-5-6-7-8-9-10-15-22(19,20)21-17-13-11-16(12-14-17)18(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-14H,5-10,15H2,1-4H3;1-10H/p+1