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

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C18H14ClNO7S MolecularWeight: 423.82426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO7S/c1-2-3-11-8-18(21)26-17-9-12(4-6-14(11)17)27-28(24,25)13-5-7-15(19)16(10-13)20(22)23/h4-10H,2-3H2,1H3