2-oxidanyl-4-[[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenoxy]carbonylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenoxy]carbonylamino]benzoic acid Openeye Name: 2-hydroxy-4-[[4-(5-thioxodithiol-3-yl)phenoxy]carbonylamino]benzoic acid CAS Name: 2-hydroxy-4-[[oxo-[4-(5-sulfanylidene-3-dithiolyl)phenoxy]methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[4-(5-sulfanylidenedithiol-3-yl)phenoxy]carbonylamino]benzoic acid Traditional Name: 2-hydroxy-4-[[4-(5-thioxodithiol-3-yl)phenoxy]carbonylamino]benzoic acid Formula: C17H11NO5S3 MolecularWeight: 405.46794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=S)SS2)OC(=O)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=S)SS2)OC(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C17H11NO5S3/c19-13-7-10(3-6-12(13)16(20)21)18-17(22)23-11-4-1-9(2-5-11)14-8-15(24)26-25-14/h1-8,19H,(H,18,22)(H,20,21)