4-(3,5-dimethyl-4-oxidanyl-phenyl)carbonyloxy-3,5-dimethyl-benzoate; nickel(2+)

Systemtic Name: 4-(3,5-dimethyl-4-oxidanyl-phenyl)carbonyloxy-3,5-dimethyl-benzoate; nickel(2+) Openeye Name: nickelous 4-(4-hydroxy-3,5-dimethyl-benzoyl)oxy-3,5-dimethyl-benzoate CAS Name: 4-[(4-hydroxy-3,5-dimethylphenyl)-oxomethoxy]-3,5-dimethylbenzoate; nickel(2+) IUPAC Name: 4-(4-hydroxy-3,5-dimethylbenzoyl)oxy-3,5-dimethylbenzoate; nickel(2+) Traditional Name: nickelous 4-(4-hydroxy-3,5-dimethyl-benzoyl)oxy-3,5-dimethyl-benzoate Formula: C36H34NiO10 MolecularWeight: 685.34256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(=O)OC2=C(C=C(C=C2C)C(=O)[O-])C.CC1=CC(=CC(=C1O)C)C(=O)OC2=C(C=C(C=C2C)C(=O)[O-])C.[Ni+2]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(=O)OC2=C(C=C(C=C2C)C(=O)[O-])C.CC1=CC(=CC(=C1O)C)C(=O)OC2=C(C=C(C=C2C)C(=O)[O-])C.[Ni+2]

InChI

InChI=1S/2C18H18O5.Ni/c2*1-9-5-14(6-10(2)15(9)19)18(22)23-16-11(3)7-13(17(20)21)8-12(16)4;/h2*5-8,19H,1-4H3,(H,20,21);/q;;+2/p-2