(4-methylphenyl)-diphenyl-sulfanium; pyrene-1-sulfonate

Systemtic Name: (4-methylphenyl)-diphenyl-sulfanium; pyrene-1-sulfonate Openeye Name: diphenyl(p-tolyl)sulfonium; pyrene-1-sulfonate CAS Name: (4-methylphenyl)-diphenylsulfonium; 1-pyrenesulfonate IUPAC Name: (4-methylphenyl)-diphenylsulfanium; pyrene-1-sulfonate Traditional Name: diphenyl(p-tolyl)sulfonium; pyrene-1-sulfonate Formula: C35H26O3S2 MolecularWeight: 558.70914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C19H17S.C16H10O3S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h2-15H,1H3;1-9H,(H,17,18,19)/q+1;/p-1