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

Systemtic Name: [(E)-1-(benzotriazol-1-yl)non-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-1-(benzotriazol-1-yl)non-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-(1-benzotriazolyl)non-1-enyl] ester IUPAC Name: [(E)-1-(benzotriazol-1-yl)non-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-1-(benzotriazol-1-yl)non-1-enyl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-3-4-5-6-7-8-13-22(25-21-12-10-9-11-20(21)23-24-25)28-29(26,27)19-16-14-18(2)15-17-19/h9-17H,3-8H2,1-2H3/b22-13+