[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 5-azanyl-2-oxidanyl-benzoate hydrochloride

Systemtic Name: [4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 5-azanyl-2-oxidanyl-benzoate hydrochloride Openeye Name: [4-(5-thioxodithiol-3-yl)phenyl] 5-amino-2-hydroxy-benzoate hydrochloride CAS Name: 5-amino-2-hydroxybenzoic acid [4-(5-sulfanylidene-3-dithiolyl)phenyl] ester hydrochloride IUPAC Name: [4-(5-sulfanylidenedithiol-3-yl)phenyl] 5-amino-2-hydroxybenzoate hydrochloride Traditional Name: 5-amino-2-hydroxy-benzoic acid [4-(5-thioxodithiol-3-yl)phenyl] ester hydrochloride Formula: C16H12ClNO3S3 MolecularWeight: 397.91938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO3S3.ClH/c17-10-3-6-13(18)12(7-10)16(19)20-11-4-1-9(2-5-11)14-8-15(21)23-22-14;/h1-8,18H,17H2;1H