4-bis(4-methylphenoxy)phosphanyloxybutan-2-yl bis(4-methylphenyl) phosphite; nickel(2+)

Systemtic Name: 4-bis(4-methylphenoxy)phosphanyloxybutan-2-yl bis(4-methylphenyl) phosphite; nickel(2+) Openeye Name: nickelous 3-bis(4-methylphenoxy)phosphanyloxybutyl bis-p-tolyl phosphite CAS Name: nickel(2+); phosphorous acid 4-bis(4-methylphenoxy)phosphinooxybutan-2-yl bis(4-methylphenyl) ester IUPAC Name: 4-bis(4-methylphenoxy)phosphanyloxybutan-2-yl bis(4-methylphenyl) phosphite; nickel(2+) Traditional Name: nickelous phosphorous acid 3-bis(4-methylphenoxy)phosphinooxybutyl bis-p-tolyl ester Formula: C64H72NiO12P4+2 MolecularWeight: 1215.837724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(OCCC(C)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C)OC4=CC=C(C=C4)C.CC1=CC=C(C=C1)OP(OCCC(C)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C)OC4=CC=C(C=C4)C.[Ni+2]

Isomeric SMILES

CC1=CC=C(C=C1)OP(OCCC(C)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C)OC4=CC=C(C=C4)C.CC1=CC=C(C=C1)OP(OCCC(C)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C)OC4=CC=C(C=C4)C.[Ni+2]

InChI

InChI=1S/2C32H36O6P2.Ni/c2*1-24-6-14-29(15-7-24)35-39(36-30-16-8-25(2)9-17-30)33-23-22-28(5)34-40(37-31-18-10-26(3)11-19-31)38-32-20-12-27(4)13-21-32;/h2*6-21,28H,22-23H2,1-5H3;/q;;+2