[(E)-1-(benzotriazol-1-yl)hept-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-(benzotriazol-1-yl)hept-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-1-(benzotriazol-1-yl)hept-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-(1-benzotriazolyl)hept-1-enyl] ester IUPAC Name: [(E)-1-(benzotriazol-1-yl)hept-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-1-(benzotriazol-1-yl)hept-1-enyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(N1C2=CC=CC=C2N=N1)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC/C=C(\N1C2=CC=CC=C2N=N1)/OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H23N3O3S/c1-3-4-5-6-11-20(23-19-10-8-7-9-18(19)21-22-23)26-27(24,25)17-14-12-16(2)13-15-17/h7-15H,3-6H2,1-2H3/b20-11+