(3-dodecoxyphenyl) 4-(5-bromanylbenzotriazol-2-yl)benzoate

Systemtic Name: (3-dodecoxyphenyl) 4-(5-bromanylbenzotriazol-2-yl)benzoate Openeye Name: (3-dodecoxyphenyl) 4-(5-bromobenzotriazol-2-yl)benzoate CAS Name: 4-(5-bromo-2-benzotriazolyl)benzoic acid (3-dodecoxyphenyl) ester IUPAC Name: (3-dodecoxyphenyl) 4-(5-bromobenzotriazol-2-yl)benzoate Traditional Name: 4-(5-bromobenzotriazol-2-yl)benzoic acid (3-lauryloxyphenyl) ester Formula: C31H36BrN3O3 MolecularWeight: 578.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)OC(=O)C2=CC=C(C=C2)N3N=C4C=CC(=CC4=N3)Br

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)OC(=O)C2=CC=C(C=C2)N3N=C4C=CC(=CC4=N3)Br

InChI

InChI=1S/C31H36BrN3O3/c1-2-3-4-5-6-7-8-9-10-11-21-37-27-13-12-14-28(23-27)38-31(36)24-15-18-26(19-16-24)35-33-29-20-17-25(32)22-30(29)34-35/h12-20,22-23H,2-11,21H2,1H3