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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=S)SS2)OC(=O)OC3=C(C=CC(=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=S)SS2)OC(=O)OC3=C(C=CC(=C3)N)C(=O)O

InChI

InChI=1S/C17H11NO5S3/c18-10-3-6-12(16(19)20)13(7-10)23-17(21)22-11-4-1-9(2-5-11)14-8-15(24)26-25-14/h1-8H,18H2,(H,19,20)