(4-oxidanylidene-2,3-dihydrochromen-6-yl) 4-nitrobenzenesulfonate

Systemtic Name: (4-oxidanylidene-2,3-dihydrochromen-6-yl) 4-nitrobenzenesulfonate Openeye Name: (4-oxochroman-6-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl) ester IUPAC Name: (4-oxo-2,3-dihydrochromen-6-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-ketochroman-6-yl) ester Formula: C15H11NO7S MolecularWeight: 349.31534

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1=O)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(C1=O)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO7S/c17-14-7-8-22-15-6-3-11(9-13(14)15)23-24(20,21)12-4-1-10(2-5-12)16(18)19/h1-6,9H,7-8H2