2-diphenylphosphanyl-4-methyl-benzenesulfonate; nickel(2+)

Systemtic Name: 2-diphenylphosphanyl-4-methyl-benzenesulfonate; nickel(2+) Openeye Name: nickelous 2-diphenylphosphanyl-4-methyl-benzenesulfonate CAS Name: 2-diphenylphosphino-4-methylbenzenesulfonate; nickel(2+) IUPAC Name: 2-diphenylphosphanyl-4-methylbenzenesulfonate; nickel(2+) Traditional Name: nickelous 2-diphenylphosphino-4-methyl-besylate Formula: C38H32NiO6P2S2 MolecularWeight: 769.428002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC(=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC(=C(C=C1)S(=O)(=O)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/2C19H17O3PS.Ni/c2*1-15-12-13-19(24(20,21)22)18(14-15)23(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2*2-14H,1H3,(H,20,21,22);/q;;+2/p-2