6-azanyl-6-(4-chloranyl-3-nitro-phenyl)sulfonyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-azanyl-6-(4-chloranyl-3-nitro-phenyl)sulfonyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-amino-6-(4-chloro-3-nitro-phenyl)sulfonyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-amino-6-(4-chloro-3-nitrophenyl)sulfonyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-amino-6-(4-chloro-3-nitrophenyl)sulfonylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-amino-6-(4-chloro-3-nitro-phenyl)sulfonyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C13H11ClN2O6S MolecularWeight: 358.75424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C=C1)(N)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(C(C=C1)(N)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H11ClN2O6S/c14-10-5-4-8(7-11(10)16(19)20)23(21,22)13(15)6-2-1-3-9(13)12(17)18/h1-7,9H,15H2,(H,17,18)