magnesium; 2-methylidene-4-(oxiran-2-yl)butanoate; 2-[(4-methylphenyl)amino]ethanoate

Systemtic Name: magnesium; 2-methylidene-4-(oxiran-2-yl)butanoate; 2-[(4-methylphenyl)amino]ethanoate Openeye Name: magnesium; 2-(4-methylanilino)acetate; 2-methylene-4-(oxiran-2-yl)butanoate CAS Name: magnesium; 2-(4-methylanilino)acetate; 2-methylene-4-(2-oxiranyl)butanoate IUPAC Name: magnesium; 2-(4-methylanilino)acetate; 2-methylidene-4-(oxiran-2-yl)butanoate Traditional Name: magnesium; 2-[2-(oxiran-2-yl)ethyl]acrylate; 2-(p-toluidino)acetate Formula: C32H38MgN2O10-2 MolecularWeight: 634.95652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(=O)[O-].CC1=CC=C(C=C1)NCC(=O)[O-].C=C(CCC1CO1)C(=O)[O-].C=C(CCC1CO1)C(=O)[O-].[Mg+2]

Isomeric SMILES

CC1=CC=C(C=C1)NCC(=O)[O-].CC1=CC=C(C=C1)NCC(=O)[O-].C=C(CCC1CO1)C(=O)[O-].C=C(CCC1CO1)C(=O)[O-].[Mg+2]

InChI

InChI=1S/2C9H11NO2.2C7H10O3.Mg/c2*1-7-2-4-8(5-3-7)10-6-9(11)12;2*1-5(7(8)9)2-3-6-4-10-6;/h2*2-5,10H,6H2,1H3,(H,11,12);2*6H,1-4H2,(H,8,9);/q;;;;+2/p-4