sodium 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate hydrate

Systemtic Name: sodium 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate hydrate Openeye Name: sodium 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate hydrate CAS Name: sodium 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate hydrate IUPAC Name: sodium 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate hydrate Traditional Name: sodium 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propionate hydrate Formula: C16H13ClNNaO4 MolecularWeight: 341.72149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)[O-].O.[Na+]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C16H12ClNO3.Na.H2O/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10;;/h2-9H,1H3,(H,19,20);;1H2/q;+1;/p-1