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

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 2-nitrobenzenesulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 2-nitrobenzenesulfonate Traditional Name: 2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

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