[2-(benzotriazol-2-yl)-3-octoxy-phenyl] benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-3-octoxy-phenyl] benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-3-octoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(2-benzotriazolyl)-3-octoxyphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-3-octoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(benzotriazol-2-yl)-3-octoxy-phenyl] ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=CC=C1)OS(=O)(=O)C2=CC=CC=C2)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCCCCCCCOC1=C(C(=CC=C1)OS(=O)(=O)C2=CC=CC=C2)N3N=C4C=CC=CC4=N3

InChI

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