1-ethynyl-4-(2-phenylethynyl)benzene; platinum(2+); tributyl phosphite

Systemtic Name: 1-ethynyl-4-(2-phenylethynyl)benzene; platinum(2+); tributyl phosphite Openeye Name: 1-ethynyl-4-(2-phenylethynyl)benzene; platinum(2+); tributyl phosphite CAS Name: 1-ethynyl-4-(2-phenylethynyl)benzene; phosphorous acid tributyl ester; platinum(2+) IUPAC Name: 1-ethynyl-4-(2-phenylethynyl)benzene; platinum(2+); tributyl phosphite Traditional Name: 1-ethynyl-4-(2-phenylethynyl)benzene; phosphorous acid tributyl ester; platinum(2+) Formula: C56H72O6P2Pt MolecularWeight: 1098.192802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(OCCCC)OCCCC.CCCCOP(OCCCC)OCCCC.[C-]#CC1=CC=C(C=C1)C#CC2=CC=CC=C2.[C-]#CC1=CC=C(C=C1)C#CC2=CC=CC=C2.[Pt+2]

Isomeric SMILES

CCCCOP(OCCCC)OCCCC.CCCCOP(OCCCC)OCCCC.[C-]#CC1=CC=C(C=C1)C#CC2=CC=CC=C2.[C-]#CC1=CC=C(C=C1)C#CC2=CC=CC=C2.[Pt+2]

InChI

InChI=1S/2C16H9.2C12H27O3P.Pt/c2*1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15;2*1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;/h2*3-11H;2*4-12H2,1-3H3;/q2*-1;;;+2