nickel; 2-(4-oxidanylidenepent-2-en-2-ylamino)benzenethiolate; triphenylphosphanium

Systemtic Name: nickel; 2-(4-oxidanylidenepent-2-en-2-ylamino)benzenethiolate; triphenylphosphanium Openeye Name: 2-[(1-methyl-3-oxo-but-1-enyl)amino]benzenethiolate; nickel; triphenylphosphonium CAS Name: nickel; 2-(4-oxopent-2-en-2-ylamino)benzenethiolate; triphenylphosphonium IUPAC Name: nickel; 2-(4-oxopent-2-en-2-ylamino)benzenethiolate; triphenylphosphanium Traditional Name: 2-[(3-keto-1-methyl-but-1-enyl)amino]benzenethiolate; nickel; triphenylphosphonium Formula: C29H28NNiOPS MolecularWeight: 528.270881

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC1=CC=CC=C1[S-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ni]

Isomeric SMILES

CC(=CC(=O)C)NC1=CC=CC=C1[S-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ni]

InChI

InChI=1S/C18H15P.C11H13NOS.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(7-9(2)13)12-10-5-3-4-6-11(10)14;/h1-15H;3-7,12,14H,1-2H3;