4-(benzotriazol-1-yl)-4-ethoxy-1-(4-methylphenyl)dodec-2-yn-1-ol

Systemtic Name: 4-(benzotriazol-1-yl)-4-ethoxy-1-(4-methylphenyl)dodec-2-yn-1-ol Openeye Name: 4-(benzotriazol-1-yl)-4-ethoxy-1-(p-tolyl)dodec-2-yn-1-ol CAS Name: 4-(1-benzotriazolyl)-4-ethoxy-1-(4-methylphenyl)-2-dodecyn-1-ol IUPAC Name: 4-(benzotriazol-1-yl)-4-ethoxy-1-(4-methylphenyl)dodec-2-yn-1-ol Traditional Name: 4-(benzotriazol-1-yl)-4-ethoxy-1-(p-tolyl)dodec-2-yn-1-ol Formula: C27H35N3O2 MolecularWeight: 433.5857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C#CC(C1=CC=C(C=C1)C)O)(N2C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCCCCCCCC(C#CC(C1=CC=C(C=C1)C)O)(N2C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C27H35N3O2/c1-4-6-7-8-9-12-20-27(32-5-2,30-25-14-11-10-13-24(25)28-29-30)21-19-26(31)23-17-15-22(3)16-18-23/h10-11,13-18,26,31H,4-9,12,20H2,1-3H3