sodium (5E)-5-[(4-azido-2-oxidanidylperoxysulfanyl-phenyl)methylidene]-3-(4,4-dimethoxybutyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: sodium (5E)-5-[(4-azido-2-oxidanidylperoxysulfanyl-phenyl)methylidene]-3-(4,4-dimethoxybutyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: sodium (5E)-5-[(4-azido-2-oxidoperoxysulfanyl-phenyl)methylene]-3-(4,4-dimethoxybutyl)-2-thioxo-thiazolidin-4-one CAS Name: sodium 5-azido-2-[(E)-[3-(4,4-dimethoxybutyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium (5E)-5-[(4-azido-2-oxidoperoxysulfanylphenyl)methylidene]-3-(4,4-dimethoxybutyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: sodium (5E)-5-[4-azido-2-(oxidoperoxythio)benzylidene]-3-(4,4-dimethoxybutyl)-2-thioxo-thiazolidin-4-one Formula: C16H17N4NaO6S3 MolecularWeight: 480.51415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CCCN1C(=O)C(=CC2=C(C=C(C=C2)N=[N+]=[N-])SOO[O-])SC1=S)OC.[Na+]

Isomeric SMILES

COC(CCCN1C(=O)/C(=C\C2=C(C=C(C=C2)N=[N+]=[N-])SOO[O-])/SC1=S)OC.[Na+]

InChI

InChI=1S/C16H18N4O6S3.Na/c1-23-14(24-2)4-3-7-20-15(21)13(28-16(20)27)8-10-5-6-11(18-19-17)9-12(10)29-26-25-22;/h5-6,8-9,14,22H,3-4,7H2,1-2H3;/q;+1/p-1/b13-8+;