benzenesulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfanium

Systemtic Name: benzenesulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfanium Openeye Name: benzenesulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfonium CAS Name: benzenesulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfonium IUPAC Name: benzenesulfonate; phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfanium Traditional Name: phenyl-[2,4,6-tris(2,3,4-trimethylphenyl)phenyl]sulfonium besylate Formula: C45H46O3S2 MolecularWeight: 698.97494

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Descriptors Computed from Structure

Canonical SMILES:

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.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

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.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C39H40S.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h10-22H,1-9H3;1-5H,(H,7,8,9)