2-[[7-chloranyl-3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]propanoic acid

Systemtic Name: 2-[[7-chloranyl-3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]propanoic acid Openeye Name: 2-[[7-chloro-3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]propanoic acid CAS Name: 2-[[7-chloro-3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]propanoic acid IUPAC Name: 2-[[7-chloro-3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]propanoic acid Traditional Name: 2-[7-chloro-3-(4-chlorophenyl)indoxazen-6-yl]sulfonylpropionic acid Formula: C16H11Cl2NO5S MolecularWeight: 400.23324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)C1=C(C2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)C1=C(C2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H11Cl2NO5S/c1-8(16(20)21)25(22,23)12-7-6-11-14(19-24-15(11)13(12)18)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,20,21)