diphenyl-(4-propan-2-ylphenyl)sulfanium; pyrene-1-sulfonate

Systemtic Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; pyrene-1-sulfonate Openeye Name: (4-isopropylphenyl)-diphenyl-sulfonium; pyrene-1-sulfonate CAS Name: diphenyl-(4-propan-2-ylphenyl)sulfonium; 1-pyrenesulfonate IUPAC Name: diphenyl-(4-propan-2-ylphenyl)sulfanium; pyrene-1-sulfonate Traditional Name: p-cumenyl(diphenyl)sulfonium; pyrene-1-sulfonate Formula: C37H30O3S2 MolecularWeight: 586.7623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C21H21S.C16H10O3S/c1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h3-17H,1-2H3;1-9H,(H,17,18,19)/q+1;/p-1