2-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]terephthalic acid

Systemtic Name: 2-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]terephthalic acid Openeye Name: 2-[4-(2,4-dichlorophenoxy)butanoylamino]terephthalic acid CAS Name: 2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[4-(2,4-dichlorophenoxy)butanoylamino]terephthalic acid Traditional Name: 2-[4-(2,4-dichlorophenoxy)butanoylamino]terephthalic acid Formula: C18H15Cl2NO6 MolecularWeight: 412.2208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H15Cl2NO6/c19-11-4-6-15(13(20)9-11)27-7-1-2-16(22)21-14-8-10(17(23)24)3-5-12(14)18(25)26/h3-6,8-9H,1-2,7H2,(H,21,22)(H,23,24)(H,25,26)