(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(C)C

InChI

InChI=1S/C19H17NO7S/c1-11(2)16-10-19(21)26-17-9-14(6-7-15(16)17)27-28(24,25)18-8-13(20(22)23)5-4-12(18)3/h4-11H,1-3H3