[2-(2-diphenylsulfoniophenyl)sulfanylphenyl]-diphenyl-sulfanium; 2-dodecylbenzenesulfonate

Systemtic Name: [2-(2-diphenylsulfoniophenyl)sulfanylphenyl]-diphenyl-sulfanium; 2-dodecylbenzenesulfonate Openeye Name: [2-(2-diphenylsulfoniophenyl)sulfanylphenyl]-diphenyl-sulfonium; 2-dodecylbenzenesulfonate CAS Name: [2-[(2-diphenylsulfoniophenyl)thio]phenyl]-diphenylsulfonium; 2-dodecylbenzenesulfonate IUPAC Name: [2-(2-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium; 2-dodecylbenzenesulfonate Traditional Name: [2-[(2-diphenylsulfoniophenyl)thio]phenyl]-diphenyl-sulfonium; 2-laurylbesylate Formula: C72H86O6S5 MolecularWeight: 1207.77464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4[S+](C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4[S+](C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H28S3.2C18H30O3S/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h1-28H;2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/q+2;;/p-2