2-bromanyl-6-nitro-4-[(E)-[3-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate

Systemtic Name: 2-bromanyl-6-nitro-4-[(E)-[3-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Openeye Name: 2-bromo-6-nitro-4-[(E)-[3-(4-nitrophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]phenolate CAS Name: 2-bromo-6-nitro-4-[(E)-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]phenolate IUPAC Name: 2-bromo-6-nitro-4-[(E)-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Traditional Name: 2-bromo-4-[(E)-[4-keto-3-(4-nitrophenyl)-2-thioxo-thiazolidin-5-ylidene]methyl]-6-nitro-phenolate Formula: C16H7BrN3O6S2- MolecularWeight: 481.27728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)Br)[O-])[N+](=O)[O-])SC2=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)[O-])[N+](=O)[O-])/SC2=S)[N+](=O)[O-]

InChI

InChI=1S/C16H8BrN3O6S2/c17-11-5-8(6-12(14(11)21)20(25)26)7-13-15(22)18(16(27)28-13)9-1-3-10(4-2-9)19(23)24/h1-7,21H/p-1/b13-7+