(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-nitrobenzenesulfonate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 3-nitrobenzenesulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C17H13NO7S MolecularWeight: 375.35262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H13NO7S/c1-10-11(2)17(19)24-16-9-13(6-7-15(10)16)25-26(22,23)14-5-3-4-12(8-14)18(20)21/h3-9H,1-2H3