1-methoxycarbonylcyclohexa-2,4-diene-1-sulfonate; triphenylsulfanium

Systemtic Name: 1-methoxycarbonylcyclohexa-2,4-diene-1-sulfonate; triphenylsulfanium Openeye Name: 1-methoxycarbonylcyclohexa-2,4-diene-1-sulfonate; triphenylsulfonium CAS Name: 1-methoxycarbonyl-1-cyclohexa-2,4-dienesulfonate; triphenylsulfonium IUPAC Name: 1-methoxycarbonylcyclohexa-2,4-diene-1-sulfonate; triphenylsulfanium Traditional Name: 1-carbomethoxycyclohexa-2,4-diene-1-sulfonate; triphenylsulfonium Formula: C26H24O5S2 MolecularWeight: 480.59576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15S.C8H10O5S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13-7(9)8(14(10,11)12)5-3-2-4-6-8/h1-15H;2-5H,6H2,1H3,(H,10,11,12)/q+1;/p-1