magnesium 3-[2-chloranylethanoyl-(3,5-dimethylphenyl)amino]propyl sulfate

Systemtic Name: magnesium 3-[2-chloranylethanoyl-(3,5-dimethylphenyl)amino]propyl sulfate Openeye Name: magnesium 3-(N-(2-chloroacetyl)-3,5-dimethyl-anilino)propyl sulfate CAS Name: magnesium 3-(N-(2-chloro-1-oxoethyl)-3,5-dimethylanilino)propyl sulfate IUPAC Name: magnesium 3-(N-(2-chloroacetyl)-3,5-dimethylanilino)propyl sulfate Traditional Name: magnesium 3-(N-(2-chloroacetyl)-3,5-dimethyl-anilino)propyl sulfate Formula: C26H34Cl2MgN2O10S2 MolecularWeight: 693.89656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCCOS(=O)(=O)[O-])C(=O)CCl)C.CC1=CC(=CC(=C1)N(CCCOS(=O)(=O)[O-])C(=O)CCl)C.[Mg+2]

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCCOS(=O)(=O)[O-])C(=O)CCl)C.CC1=CC(=CC(=C1)N(CCCOS(=O)(=O)[O-])C(=O)CCl)C.[Mg+2]

InChI

InChI=1S/2C13H18ClNO5S.Mg/c2*1-10-6-11(2)8-12(7-10)15(13(16)9-14)4-3-5-20-21(17,18)19;/h2*6-8H,3-5,9H2,1-2H3,(H,17,18,19);/q;;+2/p-2