disodium 3-carboxy-4-chloranyl-4,5-bis(oxidanyl)-5-oxidanylidene-pentanoate

Systemtic Name: disodium 3-carboxy-4-chloranyl-4,5-bis(oxidanyl)-5-oxidanylidene-pentanoate Openeye Name: disodium 3-carboxy-4-chloro-4,5-dihydroxy-5-oxo-pentanoate CAS Name: disodium 3-carboxy-4-chloro-4,5-dihydroxy-5-oxopentanoate IUPAC Name: disodium 3-carboxy-4-chloro-4,5-dihydroxy-5-oxopentanoate Traditional Name: disodium 3-carboxy-4-chloro-4,5-dihydroxy-5-keto-valerate Formula: C12H12Cl2Na2O14 MolecularWeight: 497.10082

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)C(C(=O)O)(O)Cl)C(=O)[O-].C(C(C(=O)O)C(C(=O)O)(O)Cl)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C(C(C(=O)O)C(C(=O)O)(O)Cl)C(=O)[O-].C(C(C(=O)O)C(C(=O)O)(O)Cl)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C6H7ClO7.2Na/c2*7-6(14,5(12)13)2(4(10)11)1-3(8)9;;/h2*2,14H,1H2,(H,8,9)(H,10,11)(H,12,13);;/q;;2*+1/p-2