[2-[2-(benzotriazol-1-yl)ethanoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[2-(benzotriazol-1-yl)ethanoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[2-(benzotriazol-1-yl)acetyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2-(1-benzotriazolyl)-1-oxoethyl]phenyl] ester IUPAC Name: [2-[2-(benzotriazol-1-yl)acetyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-(benzotriazol-1-yl)acetyl]phenyl] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H17N3O4S/c1-15-10-12-16(13-11-15)29(26,27)28-21-9-5-2-6-17(21)20(25)14-24-19-8-4-3-7-18(19)22-23-24/h2-13H,14H2,1H3