2-[4-(4-chlorophenyl)sulfanylbutanoylamino]terephthalic acid

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]terephthalic acid Openeye Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]terephthalic acid CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]terephthalic acid Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]terephthalic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C18H16ClNO5S/c19-12-4-6-13(7-5-12)26-9-1-2-16(21)20-15-10-11(17(22)23)3-8-14(15)18(24)25/h3-8,10H,1-2,9H2,(H,20,21)(H,22,23)(H,24,25)