magnesium (2Z)-1-ethanoyl-2-ethylidene-4-octanoyl-5-oxidanylidene-pyrrol-3-olate

Systemtic Name: magnesium (2Z)-1-ethanoyl-2-ethylidene-4-octanoyl-5-oxidanylidene-pyrrol-3-olate Openeye Name: magnesium (2Z)-1-acetyl-2-ethylidene-4-octanoyl-5-oxo-pyrrol-3-olate CAS Name: magnesium (2Z)-1-acetyl-2-ethylidene-5-oxo-4-(1-oxooctyl)-3-pyrrololate IUPAC Name: magnesium (2Z)-1-acetyl-2-ethylidene-4-octanoyl-5-oxopyrrol-3-olate Traditional Name: magnesium (2Z)-1-acetyl-4-caprylyl-2-ethylidene-5-keto-3-pyrrolin-3-olate Formula: C32H44MgN2O8 MolecularWeight: 609.00536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=C(C(=CC)N(C1=O)C(=O)C)[O-].CCCCCCCC(=O)C1=C(C(=CC)N(C1=O)C(=O)C)[O-].[Mg+2]

Isomeric SMILES

CCCCCCCC(=O)C1=C(/C(=C/C)/N(C1=O)C(=O)C)[O-].CCCCCCCC(=O)C1=C(/C(=C/C)/N(C1=O)C(=O)C)[O-].[Mg+2]

InChI

InChI=1S/2C16H23NO4.Mg/c2*1-4-6-7-8-9-10-13(19)14-15(20)12(5-2)17(11(3)18)16(14)21;/h2*5,20H,4,6-10H2,1-3H3;/q;;+2/p-2/b2*12-5-;