2-[4-(3-bromanylphenoxy)butanoylamino]terephthalic acid

Systemtic Name: 2-[4-(3-bromanylphenoxy)butanoylamino]terephthalic acid Openeye Name: 2-[4-(3-bromophenoxy)butanoylamino]terephthalic acid CAS Name: 2-[[4-(3-bromophenoxy)-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[4-(3-bromophenoxy)butanoylamino]terephthalic acid Traditional Name: 2-[4-(3-bromophenoxy)butanoylamino]terephthalic acid Formula: C18H16BrNO6 MolecularWeight: 422.22674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16BrNO6/c19-12-3-1-4-13(10-12)26-8-2-5-16(21)20-15-9-11(17(22)23)6-7-14(15)18(24)25/h1,3-4,6-7,9-10H,2,5,8H2,(H,20,21)(H,22,23)(H,24,25)