2-[2-[2,6-bis(chloranyl)phenyl]sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[2,6-bis(chloranyl)phenyl]sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[(2,6-dichlorophenyl)thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[(2,6-dichlorophenyl)thio]acetyl]amino]terephthalic acid Formula: C16H11Cl2NO5S MolecularWeight: 400.23324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl2NO5S/c17-10-2-1-3-11(18)14(10)25-7-13(20)19-12-6-8(15(21)22)4-5-9(12)16(23)24/h1-6H,7H2,(H,19,20)(H,21,22)(H,23,24)