tetralithium 2-[4-(benzamidomethyl)phenyl]-4-oxidanyl-4-oxidanylidene-butane-1,1,3-tricarboxylate

Systemtic Name: tetralithium 2-[4-(benzamidomethyl)phenyl]-4-oxidanyl-4-oxidanylidene-butane-1,1,3-tricarboxylate Openeye Name: tetralithium 2-[4-(benzamidomethyl)phenyl]-4-hydroxy-4-oxo-butane-1,1,3-tricarboxylate CAS Name: tetralithium 2-[4-(benzamidomethyl)phenyl]-4-hydroxy-4-oxobutane-1,1,3-tricarboxylate IUPAC Name: tetralithium 2-[4-(benzamidomethyl)phenyl]-4-hydroxy-4-oxobutane-1,1,3-tricarboxylate Traditional Name: tetralithium 2-[4-(benzamidomethyl)phenyl]-4-hydroxy-4-keto-butane-1,1,3-tricarboxylate Formula: C84H64Li4N4O36-8 MolecularWeight: 1733.17616

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].[Li+].C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(C(C(=O)O)C(=O)[O-])C(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(C(C(=O)O)C(=O)[O-])C(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(C(C(=O)O)C(=O)[O-])C(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(C(C(=O)O)C(=O)[O-])C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

[Li+].[Li+].[Li+].[Li+].C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(C(C(=O)O)C(=O)[O-])C(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(C(C(=O)O)C(=O)[O-])C(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(C(C(=O)O)C(=O)[O-])C(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(C(C(=O)O)C(=O)[O-])C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/4C21H19NO9.4Li/c4*23-17(13-4-2-1-3-5-13)22-10-11-6-8-12(9-7-11)14(15(18(24)25)19(26)27)16(20(28)29)21(30)31;;;;/h4*1-9,14-16H,10H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31);;;;/q;;;;4*+1/p-12