sodium 3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazole-4-carboxylate hydrate

Systemtic Name: sodium 3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazole-4-carboxylate hydrate Openeye Name: sodium 3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carboxylate hydrate CAS Name: sodium 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate hydrate IUPAC Name: sodium 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate hydrate Traditional Name: sodium 3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carboxylate hydrate Formula: C11H8Cl2NNaO4 MolecularWeight: 312.08129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)[O-].O.[Na+]

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C11H7Cl2NO3.Na.H2O/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13;;/h2-4H,1H3,(H,15,16);;1H2/q;+1;/p-1