3-diphenylphosphanyl-2H-isoquinolin-1-one; (Z)-4-oxidanylidenepent-2-en-2-olate; ruthenium(2+)

Systemtic Name: 3-diphenylphosphanyl-2H-isoquinolin-1-one; (Z)-4-oxidanylidenepent-2-en-2-olate; ruthenium(2+) Openeye Name: 3-diphenylphosphanyl-2H-isoquinolin-1-one; (Z)-4-oxopent-2-en-2-olate; ruthenium(2+) CAS Name: 3-diphenylphosphino-2H-isoquinolin-1-one; (Z)-4-oxo-2-penten-2-olate; ruthenium(2+) IUPAC Name: 3-diphenylphosphanyl-2H-isoquinolin-1-one; (Z)-4-oxopent-2-en-2-olate; ruthenium(2+) Traditional Name: 3-diphenylphosphinoisocarbostyril; (Z)-4-ketopent-2-en-2-olate; ruthenium(2+) Formula: C52H46N2O6P2Ru MolecularWeight: 957.948962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC4=CC=CC=C4C(=O)N3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC4=CC=CC=C4C(=O)N3.[Ru+2]

Isomeric SMILES

C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C1=CC=C(C=C1)P(C2=CC3=CC=CC=C3C(=O)N2)C4=CC=CC=C4.C1=CC=C(C=C1)P(C2=CC3=CC=CC=C3C(=O)N2)C4=CC=CC=C4.[Ru+2]

InChI

InChI=1S/2C21H16NOP.2C5H8O2.Ru/c2*23-21-19-14-8-7-9-16(19)15-20(22-21)24(17-10-3-1-4-11-17)18-12-5-2-6-13-18;2*1-4(6)3-5(2)7;/h2*1-15H,(H,22,23);2*3,6H,1-2H3;/q;;;;+2/p-2/b;;2*4-3-;