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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H17NO7S/c1-3-4-13-9-19(21)26-17-11-15(7-8-16(13)17)27-28(24,25)18-10-14(20(22)23)6-5-12(18)2/h5-11H,3-4H2,1-2H3