calcium 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-trimethyl-benzoate

Systemtic Name: calcium 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-trimethyl-benzoate Openeye Name: calcium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-trimethyl-benzoate CAS Name: calcium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-trimethylbenzoate IUPAC Name: calcium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-trimethylbenzoate Traditional Name: calcium 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-trimethyl-benzoate Formula: C15H19CaN2O4+ MolecularWeight: 331.40036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1NC(=O)C)C)N(C)C(=O)C)C)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=C(C(=C(C(=C1NC(=O)C)C)N(C)C(=O)C)C)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C15H20N2O4.Ca/c1-7-12(15(20)21)8(2)14(17(6)11(5)19)9(3)13(7)16-10(4)18;/h1-6H3,(H,16,18)(H,20,21);/q;+2/p-1