ethanenitrile; ethene-1,1,2,2-tetracarbonitrile; ethynylbenzene; rhodium; triphenylphosphanium

Systemtic Name: ethanenitrile; ethene-1,1,2,2-tetracarbonitrile; ethynylbenzene; rhodium; triphenylphosphanium Openeye Name: acetonitrile; ethene-1,1,2,2-tetracarbonitrile; ethynylbenzene; rhodium; triphenylphosphonium CAS Name: acetonitrile; ethene-1,1,2,2-tetracarbonitrile; ethynylbenzene; rhodium; triphenylphosphonium IUPAC Name: acetonitrile; ethene-1,1,2,2-tetracarbonitrile; ethynylbenzene; rhodium; triphenylphosphanium Traditional Name: acetonitrile; ethene-1,1,2,2-tetracarbonitrile; ethynylbenzene; rhodium; triphenylphosphonium Formula: C52H40N5P2Rh+ MolecularWeight: 899.760522

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.[C-]#CC1=CC=CC=C1.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.C(#N)C(=C(C#N)C#N)C#N.[Rh]

Isomeric SMILES

CC#N.[C-]#CC1=CC=CC=C1.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.C(#N)C(=C(C#N)C#N)C#N.[Rh]

InChI

InChI=1S/2C18H15P.C8H5.C6N4.C2H3N.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;7-1-5(2-8)6(3-9)4-10;1-2-3;/h2*1-15H;3-7H;;1H3;/q;;-1;;;/p+2