benzene; 1,3-di(propan-2-yl)-2H-imidazole; nickel(2+); sulfenatobenzene

Systemtic Name: benzene; 1,3-di(propan-2-yl)-2H-imidazole; nickel(2+); sulfenatobenzene Openeye Name: nickelous; benzene; 1,3-diisopropyl-2H-imidazole; sulfenatobenzene CAS Name: benzene; benzenesulfenate; 1,3-di(propan-2-yl)-2H-imidazole; nickel(2+) IUPAC Name: benzene; 1,3-di(propan-2-yl)-2H-imidazole; nickel(2+); sulfenatobenzene Traditional Name: nickelous; benzene; 1,3-diisopropyl-4-imidazoline; sulfenatobenzene Formula: C30H46N4NiOS MolecularWeight: 569.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CN(C=C1)C(C)C.CC(C)N1CN(C=C1)C(C)C.C1=CC=[C-]C=C1.C1=CC=C(C=C1)S[O-].[Ni+2]

Isomeric SMILES

CC(C)N1CN(C=C1)C(C)C.CC(C)N1CN(C=C1)C(C)C.C1=CC=[C-]C=C1.C1=CC=C(C=C1)S[O-].[Ni+2]

InChI

InChI=1S/2C9H18N2.C6H6OS.C6H5.Ni/c2*1-8(2)10-5-6-11(7-10)9(3)4;7-8-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h2*5-6,8-9H,7H2,1-4H3;1-5,7H;1-5H;/q;;;-1;+2/p-1