7-(4-methylphenyl)sulfonyloxy-8-nitro-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-(4-methylphenyl)sulfonyloxy-8-nitro-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 8-nitro-4-oxo-7-(p-tolylsulfonyloxy)chromene-2-carboxylic acid CAS Name: 7-(4-methylphenyl)sulfonyloxy-8-nitro-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-(4-methylphenyl)sulfonyloxy-8-nitro-4-oxochromene-2-carboxylic acid Traditional Name: 4-keto-8-nitro-7-tosyloxy-chromene-2-carboxylic acid Formula: C17H11NO9S MolecularWeight: 405.33554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H11NO9S/c1-9-2-4-10(5-3-9)28(24,25)27-13-7-6-11-12(19)8-14(17(20)21)26-16(11)15(13)18(22)23/h2-8H,1H3,(H,20,21)