heptyl 2-nitrobenzenesulfonate

Systemtic Name: heptyl 2-nitrobenzenesulfonate Openeye Name: heptyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid heptyl ester IUPAC Name: heptyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid heptyl ester Formula: C13H19NO5S MolecularWeight: 301.35866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H19NO5S/c1-2-3-4-5-8-11-19-20(17,18)13-10-7-6-9-12(13)14(15)16/h6-7,9-10H,2-5,8,11H2,1H3