tetralithium 2-[2-carboxy-1-[4-[[(4-iodophenyl)carbonylamino]methyl]phenyl]-3-oxidanyl-3-oxidanylidene-propyl]propanedioate

Systemtic Name: tetralithium 2-[2-carboxy-1-[4-[[(4-iodophenyl)carbonylamino]methyl]phenyl]-3-oxidanyl-3-oxidanylidene-propyl]propanedioate Openeye Name: tetralithium 2-[2-carboxy-3-hydroxy-1-[4-[[(4-iodobenzoyl)amino]methyl]phenyl]-3-oxo-propyl]propanedioate CAS Name: tetralithium 2-[2-carboxy-3-hydroxy-1-[4-[[[(4-iodophenyl)-oxomethyl]amino]methyl]phenyl]-3-oxopropyl]propanedioate IUPAC Name: tetralithium 2-[2-carboxy-3-hydroxy-1-[4-[[(4-iodobenzoyl)amino]methyl]phenyl]-3-oxopropyl]propanedioate Traditional Name: tetralithium 2-[2-carboxy-3-hydroxy-1-[4-[[(4-iodobenzoyl)amino]methyl]phenyl]-3-keto-propyl]malonate Formula: C42H32I2Li4N2O18 MolecularWeight: 1134.27902

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].[Li+].C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)I)C(C(C(=O)O)C(=O)O)C(C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)I)C(C(C(=O)O)C(=O)O)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

[Li+].[Li+].[Li+].[Li+].C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)I)C(C(C(=O)O)C(=O)O)C(C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)I)C(C(C(=O)O)C(=O)O)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C21H18INO9.4Li/c2*22-13-7-5-12(6-8-13)17(24)23-9-10-1-3-11(4-2-10)14(15(18(25)26)19(27)28)16(20(29)30)21(31)32;;;;/h2*1-8,14-16H,9H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;/q;;4*+1/p-4