4-octoxycarbonylbenzenesulfonate; triphenylsulfanium

Systemtic Name: 4-octoxycarbonylbenzenesulfonate; triphenylsulfanium Openeye Name: 4-octoxycarbonylbenzenesulfonate; triphenylsulfonium CAS Name: 4-[octoxy(oxo)methyl]benzenesulfonate; triphenylsulfonium IUPAC Name: 4-octoxycarbonylbenzenesulfonate; triphenylsulfanium Traditional Name: 4-octoxycarbonylbesylate; triphenylsulfonium Formula: C33H36O5S2 MolecularWeight: 576.76594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15S.C15H22O5S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-12-20-15(16)13-8-10-14(11-9-13)21(17,18)19/h1-15H;8-11H,2-7,12H2,1H3,(H,17,18,19)/q+1;/p-1