1,8-diazidooctan-3-yl 4-methylbenzenesulfonate

Systemtic Name: 1,8-diazidooctan-3-yl 4-methylbenzenesulfonate Openeye Name: [6-azido-1-(2-azidoethyl)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,8-diazidooctan-3-yl ester IUPAC Name: 1,8-diazidooctan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-azido-1-(2-azidoethyl)hexyl] ester Formula: C15H22N6O3S MolecularWeight: 366.43858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCCN=[N+]=[N-])CCN=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCCN=[N+]=[N-])CCN=[N+]=[N-]

InChI

InChI=1S/C15H22N6O3S/c1-13-6-8-15(9-7-13)25(22,23)24-14(10-12-19-21-17)5-3-2-4-11-18-20-16/h6-9,14H,2-5,10-12H2,1H3