(4-nitrophenyl) 4-pentylbenzenesulfonate

Systemtic Name: (4-nitrophenyl) 4-pentylbenzenesulfonate Openeye Name: (4-nitrophenyl) 4-pentylbenzenesulfonate CAS Name: 4-pentylbenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-pentylbenzenesulfonate Traditional Name: 4-amylbenzenesulfonic acid (4-nitrophenyl) ester Formula: C17H19NO5S MolecularWeight: 349.40146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO5S/c1-2-3-4-5-14-6-12-17(13-7-14)24(21,22)23-16-10-8-15(9-11-16)18(19)20/h6-13H,2-5H2,1H3