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

Systemtic Name: 2-oxidanyl-4-[[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl]diazenyl]benzoic acid Openeye Name: 2-hydroxy-4-[4-(5-thioxodithiol-3-yl)phenyl]azo-benzoic acid CAS Name: 2-hydroxy-4-[4-(5-sulfanylidene-3-dithiolyl)phenyl]azobenzoic acid IUPAC Name: 2-hydroxy-4-[[4-(5-sulfanylidenedithiol-3-yl)phenyl]diazenyl]benzoic acid Traditional Name: 2-hydroxy-4-[4-(5-thioxodithiol-3-yl)phenyl]azo-benzoic acid Formula: C16H10N2O3S3 MolecularWeight: 374.4572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O3S3/c19-13-7-11(5-6-12(13)16(20)21)18-17-10-3-1-9(2-4-10)14-8-15(22)24-23-14/h1-8,19H,(H,20,21)