butane; (4-nitrophenyl)methanesulfonate

Systemtic Name: butane; (4-nitrophenyl)methanesulfonate Openeye Name: butane; (4-nitrophenyl)methanesulfonate CAS Name: butane; (4-nitrophenyl)methanesulfonate IUPAC Name: butane; (4-nitrophenyl)methanesulfonate Traditional Name: n-butane; (4-nitrophenyl)methanesulfonate Formula: C11H16NO5S- MolecularWeight: 274.31344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC(=CC=C1CS(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC.C1=CC(=CC=C1CS(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H7NO5S.C4H10/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13;1-3-4-2/h1-4H,5H2,(H,11,12,13);3-4H2,1-2H3/p-1