diphenyl-(3-phenylthiophen-2-yl)sulfanium; 2-dodecylbenzenesulfonate

Systemtic Name: diphenyl-(3-phenylthiophen-2-yl)sulfanium; 2-dodecylbenzenesulfonate Openeye Name: diphenyl-(3-phenyl-2-thienyl)sulfonium; 2-dodecylbenzenesulfonate CAS Name: diphenyl-(3-phenyl-2-thiophenyl)sulfonium; 2-dodecylbenzenesulfonate IUPAC Name: diphenyl-(3-phenylthiophen-2-yl)sulfanium; 2-dodecylbenzenesulfonate Traditional Name: diphenyl-(3-phenyl-2-thienyl)sulfonium; 2-laurylbesylate Formula: C40H46O3S3 MolecularWeight: 670.98644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(SC=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(SC=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17S2.C18H30O3S/c1-4-10-18(11-5-1)21-16-17-23-22(21)24(19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h1-17H;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/q+1;/p-1