N-[2-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-chromen-6-yl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-1-benzopyran-6-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxochromen-6-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-keto-chromen-6-yl]-3-nitro-benzenesulfonamide Formula: C21H13ClN2O9S MolecularWeight: 504.85392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])O)O)O

InChI

InChI=1S/C21H13ClN2O9S/c22-14-4-3-12(9-15(14)24(29)30)34(31,32)23-11-2-6-18-13(8-11)19(27)20(28)21(33-18)10-1-5-16(25)17(26)7-10/h1-9,23,25-26,28H