2,6-ditert-butyl-4-[[5-chloranyl-7-(3-oxidanylprop-1-ynyl)-1,3-benzoxazol-2-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[5-chloranyl-7-(3-oxidanylprop-1-ynyl)-1,3-benzoxazol-2-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[5-chloro-7-(3-hydroxyprop-1-ynyl)-1,3-benzoxazol-2-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[5-chloro-7-(3-hydroxyprop-1-ynyl)-1,3-benzoxazol-2-yl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[5-chloro-7-(3-hydroxyprop-1-ynyl)-1,3-benzoxazol-2-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[5-chloro-7-(3-hydroxyprop-1-ynyl)-1,3-benzoxazol-2-yl]methyl]phenol Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=NC3=C(O2)C(=CC(=C3)Cl)C#CCO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=NC3=C(O2)C(=CC(=C3)Cl)C#CCO

InChI

InChI=1S/C25H28ClNO3/c1-24(2,3)18-10-15(11-19(22(18)29)25(4,5)6)12-21-27-20-14-17(26)13-16(8-7-9-28)23(20)30-21/h10-11,13-14,28-29H,9,12H2,1-6H3