tetralithium naphthalene-1,4,5,8-tetracarboxylate dodecahydrate

Systemtic Name: tetralithium naphthalene-1,4,5,8-tetracarboxylate dodecahydrate Openeye Name: tetralithium naphthalene-1,4,5,8-tetracarboxylate dodecahydrate CAS Name: tetralithium naphthalene-1,4,5,8-tetracarboxylate dodecahydrate IUPAC Name: tetralithium naphthalene-1,4,5,8-tetracarboxylate dodecahydrate Traditional Name: tetralithium naphthalene-1,4,5,8-tetracarboxylate dodecahydrate Formula: C14H28Li4O20 MolecularWeight: 544.12412

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].[Li+].C1=CC(=C2C(=CC=C(C2=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O

Isomeric SMILES

[Li+].[Li+].[Li+].[Li+].C1=CC(=C2C(=CC=C(C2=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O

InChI

InChI=1S/C14H8O8.4Li.12H2O/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20;;;;;;;;;;;;;;;;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;;;;12*1H2/q;4*+1;;;;;;;;;;;;/p-4