(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-nitrobenzenesulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C18H15NO7S MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO7S/c1-11(2)16-10-18(20)25-17-9-13(5-8-15(16)17)26-27(23,24)14-6-3-12(4-7-14)19(21)22/h3-11H,1-2H3