2-oxidanyl-4-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 2-hydroxy-4-[(1-oxoisothiochromene-3-carbonyl)amino]benzoic acid CAS Name: 2-hydroxy-4-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(1-oxoisothiochromene-3-carbonyl)amino]benzoic acid Traditional Name: 2-hydroxy-4-[(1-ketoisothiochromene-3-carbonyl)amino]benzoic acid Formula: C17H11NO5S MolecularWeight: 341.33794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C17H11NO5S/c19-13-8-10(5-6-12(13)16(21)22)18-15(20)14-7-9-3-1-2-4-11(9)17(23)24-14/h1-8,19H,(H,18,20)(H,21,22)