nickel(2+); 4-(octoxycarbonylamino)-2-oxidanyl-benzoate

Systemtic Name: nickel(2+); 4-(octoxycarbonylamino)-2-oxidanyl-benzoate Openeye Name: nickelous 2-hydroxy-4-(octoxycarbonylamino)benzoate CAS Name: 2-hydroxy-4-[[octoxy(oxo)methyl]amino]benzoate; nickel(2+) IUPAC Name: 2-hydroxy-4-(octoxycarbonylamino)benzoate; nickel(2+) Traditional Name: nickelous 2-hydroxy-4-(octoxycarbonylamino)benzoate Formula: C32H44N2NiO10 MolecularWeight: 675.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O.CCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O.[Ni+2]

Isomeric SMILES

CCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O.CCCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O.[Ni+2]

InChI

InChI=1S/2C16H23NO5.Ni/c2*1-2-3-4-5-6-7-10-22-16(21)17-12-8-9-13(15(19)20)14(18)11-12;/h2*8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20);/q;;+2/p-2