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

Systemtic Name: sodium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate Openeye Name: sodium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate CAS Name: sodium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate IUPAC Name: sodium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate Traditional Name: sodium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propionate Formula: C16H11ClNNaO3 MolecularWeight: 323.70621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)CCC(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)CCC(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C16H12ClNO3.Na/c17-12-5-3-11(4-6-12)16-18-13-9-10(2-8-15(19)20)1-7-14(13)21-16;/h1,3-7,9H,2,8H2,(H,19,20);/q;+1/p-1