benzotriazol-1-yl 2,4,6-trimethylbenzenesulfonate

Systemtic Name: benzotriazol-1-yl 2,4,6-trimethylbenzenesulfonate Openeye Name: benzotriazol-1-yl 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid benzotriazol-1-yl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)ON2C3=CC=CC=C3N=N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)ON2C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C15H15N3O3S/c1-10-8-11(2)15(12(3)9-10)22(19,20)21-18-14-7-5-4-6-13(14)16-17-18/h4-9H,1-3H3