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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C2O1)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C2O1)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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