3-chloranyl-4-[5-(2-chloranylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid

Systemtic Name: 3-chloranyl-4-[5-(2-chloranylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid Openeye Name: 4-[1-carboxy-4-(2-chlorophenoxy)butoxy]-3-chloro-benzoic acid CAS Name: 3-chloro-4-[5-(2-chlorophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid IUPAC Name: 3-chloro-4-[5-(2-chlorophenoxy)-1-hydroxy-1-oxopentan-2-yl]oxybenzoic acid Traditional Name: 4-[1-carboxy-4-(2-chlorophenoxy)butoxy]-3-chloro-benzoic acid Formula: C18H16Cl2O6 MolecularWeight: 399.22204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCC(C(=O)O)OC2=C(C=C(C=C2)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OCCCC(C(=O)O)OC2=C(C=C(C=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C18H16Cl2O6/c19-12-4-1-2-5-14(12)25-9-3-6-16(18(23)24)26-15-8-7-11(17(21)22)10-13(15)20/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,21,22)(H,23,24)