[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 8-(oxidanylamino)-8-oxidanylidene-octanoate

Systemtic Name: [4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 8-(oxidanylamino)-8-oxidanylidene-octanoate Openeye Name: [4-(5-thioxodithiol-3-yl)phenyl] 8-(hydroxyamino)-8-oxo-octanoate CAS Name: 8-(hydroxyamino)-8-oxooctanoic acid [4-(5-sulfanylidene-3-dithiolyl)phenyl] ester IUPAC Name: [4-(5-sulfanylidenedithiol-3-yl)phenyl] 8-(hydroxyamino)-8-oxooctanoate Traditional Name: 8-(hydroxyamino)-8-keto-caprylic acid [4-(5-thioxodithiol-3-yl)phenyl] ester Formula: C17H19NO4S3 MolecularWeight: 397.53206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=S)SS2)OC(=O)CCCCCCC(=O)NO

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=S)SS2)OC(=O)CCCCCCC(=O)NO

InChI

InChI=1S/C17H19NO4S3/c19-15(18-21)5-3-1-2-4-6-16(20)22-13-9-7-12(8-10-13)14-11-17(23)25-24-14/h7-11,21H,1-6H2,(H,18,19)