5-hexylsulfonyl-1-(4-nitrophenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-hexylsulfonyl-1-(4-nitrophenyl)-1,2,3,4-tetrazole Openeye Name: 5-hexylsulfonyl-1-(4-nitrophenyl)tetrazole CAS Name: 5-hexylsulfonyl-1-(4-nitrophenyl)tetrazole IUPAC Name: 5-hexylsulfonyl-1-(4-nitrophenyl)tetrazole Traditional Name: 5-hexylsulfonyl-1-(4-nitrophenyl)tetrazole Formula: C13H17N5O4S MolecularWeight: 339.37018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=NN=NN1C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCS(=O)(=O)C1=NN=NN1C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O4S/c1-2-3-4-5-10-23(21,22)13-14-15-16-17(13)11-6-8-12(9-7-11)18(19)20/h6-9H,2-5,10H2,1H3