3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-[(6-nitro-1,3-benzothiazol-2-yl)thio]-2-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-[(6-nitro-1,3-benzothiazol-2-yl)thio]-2-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-2-furoic acid Formula: C20H10N4O9S4 MolecularWeight: 578.5748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H10N4O9S4/c25-14-15(37-19-22-11-4-2-9(24(31)32)6-13(11)36-19)20(17(27)28,33-16(14)26)7-34-18-21-10-3-1-8(23(29)30)5-12(10)35-18/h1-6,25H,7H2,(H,27,28)