nickel(2+); tris(4-methylphenyl) phosphate; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane

Systemtic Name: nickel(2+); tris(4-methylphenyl) phosphate; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane Openeye Name: nickelous; trihydroxy(oxo)-$l^{5}-chlorane; tris-p-tolyl phosphate CAS Name: nickel(2+); phosphoric acid tris(4-methylphenyl) ester; trihydroxy(oxo)-$l^{5}-chlorane IUPAC Name: nickel(2+); trihydroxy(oxo)-$l^{5}-chlorane; tris(4-methylphenyl) phosphate Traditional Name: nickelous; phosphoric acid tris-p-tolyl ester; trihydroxy(keto)-$l^{5}-chlorane Formula: C84H87ClNiO20P4+2 MolecularWeight: 1634.619024

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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.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.OCl(=O)(O)O.[Ni+2]

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.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.OCl(=O)(O)O.[Ni+2]

InChI

InChI=1S/4C21H21O4P.ClH3O4.Ni/c4*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;2-1(3,4)5;/h4*4-15H,1-3H3;(H3,2,3,4,5);/q;;;;;+2