cobalt(2+); 3-[methyl-[4-(2-methylheptan-2-yl)phenyl]amino]propanoate

Systemtic Name: cobalt(2+); 3-[methyl-[4-(2-methylheptan-2-yl)phenyl]amino]propanoate Openeye Name: cobaltous 3-[4-(1,1-dimethylhexyl)-N-methyl-anilino]propanoate CAS Name: cobalt(2+); 3-[N-methyl-4-(2-methylheptan-2-yl)anilino]propanoate IUPAC Name: cobalt(2+); 3-[N-methyl-4-(2-methylheptan-2-yl)anilino]propanoate Traditional Name: cobaltous 3-[4-(1,1-dimethylhexyl)-N-methyl-anilino]propionate Formula: C36H56CoN2O4 MolecularWeight: 639.77404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)N(C)CCC(=O)[O-].CCCCCC(C)(C)C1=CC=C(C=C1)N(C)CCC(=O)[O-].[Co+2]

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)N(C)CCC(=O)[O-].CCCCCC(C)(C)C1=CC=C(C=C1)N(C)CCC(=O)[O-].[Co+2]

InChI

InChI=1S/2C18H29NO2.Co/c2*1-5-6-7-13-18(2,3)15-8-10-16(11-9-15)19(4)14-12-17(20)21;/h2*8-11H,5-7,12-14H2,1-4H3,(H,20,21);/q;;+2/p-2