(4-octoxyphenyl) 2-(benzotriazol-2-yl)benzenesulfonate

Systemtic Name: (4-octoxyphenyl) 2-(benzotriazol-2-yl)benzenesulfonate Openeye Name: (4-octoxyphenyl) 2-(benzotriazol-2-yl)benzenesulfonate CAS Name: 2-(2-benzotriazolyl)benzenesulfonic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 2-(benzotriazol-2-yl)benzenesulfonate Traditional Name: 2-(benzotriazol-2-yl)benzenesulfonic acid (4-octoxyphenyl) ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C26H29N3O4S/c1-2-3-4-5-6-11-20-32-21-16-18-22(19-17-21)33-34(30,31)26-15-10-9-14-25(26)29-27-23-12-7-8-13-24(23)28-29/h7-10,12-19H,2-6,11,20H2,1H3