octane-1-sulfonate; (1-phenylbiphenylen-2-yl)sulfanium

Systemtic Name: octane-1-sulfonate; (1-phenylbiphenylen-2-yl)sulfanium Openeye Name: octane-1-sulfonate; (1-phenylbiphenylen-2-yl)sulfonium CAS Name: 1-octanesulfonate; (1-phenyl-2-biphenylenyl)sulfonium IUPAC Name: octane-1-sulfonate; (1-phenylbiphenylen-2-yl)sulfanium Traditional Name: octane-1-sulfonate; (1-phenylbiphenylen-2-yl)sulfonium Formula: C26H30O3S2 MolecularWeight: 454.6446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(C=CC3=C2C4=CC=CC=C34)[SH2+]

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(C=CC3=C2C4=CC=CC=C34)[SH2+]

InChI

InChI=1S/C18H12S.C8H18O3S/c19-16-11-10-15-13-8-4-5-9-14(13)18(15)17(16)12-6-2-1-3-7-12;1-2-3-4-5-6-7-8-12(9,10)11/h1-11,19H;2-8H2,1H3,(H,9,10,11)