cyclooctatetraene; nickel(2+); 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione

Systemtic Name: cyclooctatetraene; nickel(2+); 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione Openeye Name: nickelous; cyclooctatetraene; 2,3,5,6-tetramethyl-1,4-benzoquinone CAS Name: cyclooctatetraene; nickel(2+); 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione IUPAC Name: cyclooctatetraene; nickel(2+); 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione Traditional Name: nickelous; cyclooctatetraene; 2,3,5,6-tetramethyl-p-benzoquinone Formula: C18H20NiO2+2 MolecularWeight: 327.0436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C)C.C1=CC=CC=CC=C1.[Ni+2]

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C)C.C\1=C\C=C/C=C\C=C1.[Ni+2]

InChI

InChI=1S/C10H12O2.C8H8.Ni/c1-5-6(2)10(12)8(4)7(3)9(5)11;1-2-4-6-8-7-5-3-1;/h1-4H3;1-8H;/q;;+2/b;2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-;