triphenylbismuthane; tris(fluoranyl)methanesulfonic acid; hydrate

Systemtic Name: triphenylbismuthane; tris(fluoranyl)methanesulfonic acid; hydrate Openeye Name: trifluoromethanesulfonic acid; triphenylbismuthane; hydrate CAS Name: trifluoromethanesulfonic acid; triphenylbismuthine; hydrate IUPAC Name: trifluoromethanesulfonic acid; triphenylbismuthane; hydrate Traditional Name: triflic acid; triphenylbismuthine; hydrate Formula: C38H34Bi2F6O7S2 MolecularWeight: 1198.753539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.O

Isomeric SMILES

C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.O

InChI

InChI=1S/6C6H5.2CHF3O3S.2Bi.H2O/c6*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;;;/h6*1-5H;2*(H,5,6,7);;;1H2