2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]terephthalic acid CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]terephthalic acid Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]amino]terephthalic acid Formula: C16H12ClNO5S MolecularWeight: 365.78818

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12ClNO5S/c1-24-9-3-5-12(17)11(7-9)14(19)18-13-6-8(15(20)21)2-4-10(13)16(22)23/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)