diphenyl-(2-phenylsulfanylphenyl)sulfanium; pyrene-1-sulfonate

Systemtic Name: diphenyl-(2-phenylsulfanylphenyl)sulfanium; pyrene-1-sulfonate Openeye Name: diphenyl-(2-phenylsulfanylphenyl)sulfonium; pyrene-1-sulfonate CAS Name: diphenyl-[2-(phenylthio)phenyl]sulfonium; 1-pyrenesulfonate IUPAC Name: diphenyl-(2-phenylsulfanylphenyl)sulfanium; pyrene-1-sulfonate Traditional Name: diphenyl-[2-(phenylthio)phenyl]sulfonium; pyrene-1-sulfonate Formula: C40H28O3S3 MolecularWeight: 652.84352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2[S+](C3=CC=CC=C3)C4=CC=CC=C4.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2[S+](C3=CC=CC=C3)C4=CC=CC=C4.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C24H19S2.C16H10O3S/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(21-14-6-2-7-15-21)22-16-8-3-9-17-22;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-19H;1-9H,(H,17,18,19)/q+1;/p-1