tris(fluoranyl)methanesulfonic acid; tris(4-methylphenyl)bismuthane; hydrate

Systemtic Name: tris(fluoranyl)methanesulfonic acid; tris(4-methylphenyl)bismuthane; hydrate Openeye Name: trifluoromethanesulfonic acid; tris-p-tolylbismuthane; hydrate CAS Name: trifluoromethanesulfonic acid; tris(4-methylphenyl)bismuthine; hydrate IUPAC Name: trifluoromethanesulfonic acid; tris(4-methylphenyl)bismuthane; hydrate Traditional Name: triflic acid; tris-p-tolylbismuthine; hydrate Formula: C44H46Bi2F6O7S2 MolecularWeight: 1282.913019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[Bi](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)[Bi](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.O

Isomeric SMILES

CC1=CC=C(C=C1)[Bi](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)[Bi](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.O

InChI

InChI=1S/6C7H7.2CHF3O3S.2Bi.H2O/c6*1-7-5-3-2-4-6-7;2*2-1(3,4)8(5,6)7;;;/h6*3-6H,1H3;2*(H,5,6,7);;;1H2