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

Systemtic Name: (4-tert-butylphenyl) pyrene-1-sulfonate; diphenylsulfanium Openeye Name: (4-tert-butylphenyl) pyrene-1-sulfonate; diphenylsulfonium CAS Name: diphenylsulfonium; 1-pyrenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) pyrene-1-sulfonate; diphenylsulfanium Traditional Name: diphenylsulfonium; pyrene-1-sulfonic acid (4-tert-butylphenyl) ester Formula: C38H33O3S2+ MolecularWeight: 601.79682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

InChI

InChI=1S/C26H22O3S.C12H10S/c1-26(2,3)20-11-13-21(14-12-20)29-30(27,28)23-16-10-19-8-7-17-5-4-6-18-9-15-22(23)25(19)24(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-16H,1-3H3;1-10H/p+1