octane-1-sulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfanium

Systemtic Name: octane-1-sulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfanium Openeye Name: octane-1-sulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfonium CAS Name: 1-octanesulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfonium IUPAC Name: octane-1-sulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfanium Traditional Name: octane-1-sulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfonium Formula: C47H58O3S2 MolecularWeight: 735.09162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].CC1=C(C(=C(C=C1)C2=CC(=C(C(=C2)C3=C(C(=C(C=C3)C)C)C)[SH+]C4=CC=CC=C4)C5=C(C(=C(C=C5)C)C)C)C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].CC1=C(C(=C(C=C1)C2=CC(=C(C(=C2)C3=C(C(=C(C=C3)C)C)C)[SH+]C4=CC=CC=C4)C5=C(C(=C(C=C5)C)C)C)C)C

InChI

InChI=1S/C39H40S.C8H18O3S/c1-23-15-18-34(29(7)26(23)4)32-21-37(35-19-16-24(2)27(5)30(35)8)39(40-33-13-11-10-12-14-33)38(22-32)36-20-17-25(3)28(6)31(36)9;1-2-3-4-5-6-7-8-12(9,10)11/h10-22H,1-9H3;2-8H2,1H3,(H,9,10,11)