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

Systemtic Name: [(E)-1-(benzotriazol-1-yl)-4-phenyl-but-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-1-(benzotriazol-1-yl)-4-phenyl-but-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-(1-benzotriazolyl)-4-phenylbut-1-enyl] ester IUPAC Name: [(E)-1-(benzotriazol-1-yl)-4-phenylbut-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-1-(benzotriazol-1-yl)-4-phenyl-but-1-enyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CCCC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C/CCC2=CC=CC=C2)/N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H21N3O3S/c1-18-14-16-20(17-15-18)30(27,28)29-23(13-7-10-19-8-3-2-4-9-19)26-22-12-6-5-11-21(22)24-25-26/h2-6,8-9,11-17H,7,10H2,1H3/b23-13+