(2-oxidanylidene-4-propyl-chromen-7-yl) 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 2-methyl-3-nitro-benzenesulfonate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-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=CC=CC(=C3C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC(=C3C)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO7S/c1-3-5-13-10-19(21)26-17-11-14(8-9-15(13)17)27-28(24,25)18-7-4-6-16(12(18)2)20(22)23/h4,6-11H,3,5H2,1-2H3