5-[[1-oxidanyl-4-(trichloromethylsulfanyl)naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[1-oxidanyl-4-(trichloromethylsulfanyl)naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[1-hydroxy-4-(trichloromethylsulfanyl)naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[1-hydroxy-4-(trichloromethylthio)-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[1-hydroxy-4-(trichloromethylsulfanyl)naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[1-hydroxy-4-(trichloromethylthio)-2-naphthoyl]amino]isophthalic acid Formula: C20H12Cl3NO6S MolecularWeight: 500.73638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)SC(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)SC(Cl)(Cl)Cl

InChI

InChI=1S/C20H12Cl3NO6S/c21-20(22,23)31-15-8-14(16(25)13-4-2-1-3-12(13)15)17(26)24-11-6-9(18(27)28)5-10(7-11)19(29)30/h1-8,25H,(H,24,26)(H,27,28)(H,29,30)