3-nitro-N-[3,5,5,6-tetrakis(bromanyl)-2-methyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]benzenesulfonamide

Systemtic Name: 3-nitro-N-[3,5,5,6-tetrakis(bromanyl)-2-methyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]benzenesulfonamide Openeye Name: 3-nitro-N-(3,5,5,6-tetrabromo-2-methyl-4-oxo-cyclohex-2-en-1-ylidene)benzenesulfonamide CAS Name: 3-nitro-N-(3,5,5,6-tetrabromo-2-methyl-4-oxo-1-cyclohex-2-enylidene)benzenesulfonamide IUPAC Name: 3-nitro-N-(3,5,5,6-tetrabromo-2-methyl-4-oxocyclohex-2-en-1-ylidene)benzenesulfonamide Traditional Name: 3-nitro-N-(3,5,5,6-tetrabromo-4-keto-2-methyl-cyclohex-2-en-1-ylidene)benzenesulfonamide Formula: C13H8Br4N2O5S MolecularWeight: 623.89402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C(C1=NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Br)(Br)Br)Br

Isomeric SMILES

CC1=C(C(=O)C(C(C1=NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Br)(Br)Br)Br

InChI

InChI=1S/C13H8Br4N2O5S/c1-6-9(14)12(20)13(16,17)11(15)10(6)18-25(23,24)8-4-2-3-7(5-8)19(21)22/h2-5,11H,1H3