copper; triphenylphosphanium; 4,4,4-tris(fluoranyl)-1-thiophen-2-yl-butane-1,3-diol

Systemtic Name: copper; triphenylphosphanium; 4,4,4-tris(fluoranyl)-1-thiophen-2-yl-butane-1,3-diol Openeye Name: copper; 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-diol; triphenylphosphonium CAS Name: copper; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol; triphenylphosphonium IUPAC Name: copper; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol; triphenylphosphanium Traditional Name: copper; 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-diol; triphenylphosphonium Formula: C44H41CuF3O2P2S+2 MolecularWeight: 816.348872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CSC(=C1)C(CC(C(F)(F)F)O)O.[Cu]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CSC(=C1)C(CC(C(F)(F)F)O)O.[Cu]

InChI

InChI=1S/2C18H15P.C8H9F3O2S.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h2*1-15H;1-3,5,7,12-13H,4H2;/p+2