bis(chloranyl)nickel; tris(4-methylphenyl) phosphate

Systemtic Name: bis(chloranyl)nickel; tris(4-methylphenyl) phosphate Openeye Name: dichloronickel; tris-p-tolyl phosphate CAS Name: dichloronickel; phosphoric acid tris(4-methylphenyl) ester IUPAC Name: dichloronickel; tris(4-methylphenyl) phosphate Traditional Name: dichloronickel; phosphoric acid tris-p-tolyl ester Formula: C42H42Cl2NiO8P2 MolecularWeight: 866.325002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.Cl[Ni]Cl

Isomeric SMILES

CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.Cl[Ni]Cl

InChI

InChI=1S/2C21H21O4P.2ClH.Ni/c2*1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2