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

Systemtic Name: [(E)-1-(benzotriazol-1-yl)prop-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-1-(benzotriazol-1-yl)prop-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-(1-benzotriazolyl)prop-1-enyl] ester IUPAC Name: [(E)-1-(benzotriazol-1-yl)prop-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-1-(benzotriazol-1-yl)prop-1-enyl] ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-3-16(19-15-7-5-4-6-14(15)17-18-19)22-23(20,21)13-10-8-12(2)9-11-13/h3-11H,1-2H3/b16-3+