tricalcium; hydride; terephthalic acid

Systemtic Name: tricalcium; hydride; terephthalic acid Openeye Name: tricalcium; hydride; terephthalic acid CAS Name: tricalcium; hydride; terephthalic acid IUPAC Name: tricalcium; hydride; terephthalic acid Traditional Name: tricalcium; hydride; terephthalic acid Formula: C16H18Ca3O8 MolecularWeight: 458.54332

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Descriptors Computed from Structure

Canonical SMILES:

[H-].[H-].[H-].[H-].[H-].[H-].C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

[H-].[H-].[H-].[H-].[H-].[H-].C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C8H6O4.3Ca.6H/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;;;;;;;;;/h2*1-4H,(H,9,10)(H,11,12);;;;;;;;;/q;;3*+2;6*-1