[(E)-1-(benzotriazol-1-yl)-4,4-dimethyl-pent-1-enyl] 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CCC(C)(C)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C/CC(C)(C)C)/N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H23N3O3S/c1-15-9-11-16(12-10-15)27(24,25)26-19(13-14-20(2,3)4)23-18-8-6-5-7-17(18)21-22-23/h5-13H,14H2,1-4H3/b19-13+