2-(3,4-ditert-butyl-2-ethynyl-5-methoxy-phenyl)ethanoic acid

Systemtic Name: 2-(3,4-ditert-butyl-2-ethynyl-5-methoxy-phenyl)ethanoic acid Openeye Name: 2-(3,4-ditert-butyl-2-ethynyl-5-methoxy-phenyl)acetic acid CAS Name: 2-(3,4-ditert-butyl-2-ethynyl-5-methoxyphenyl)acetic acid IUPAC Name: 2-(3,4-ditert-butyl-2-ethynyl-5-methoxyphenyl)acetic acid Traditional Name: 2-(3,4-ditert-butyl-2-ethynyl-5-methoxy-phenyl)acetic acid Formula: C19H26O3 MolecularWeight: 302.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C(=C1C(C)(C)C)C#C)CC(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C(=C1C(C)(C)C)C#C)CC(=O)O)OC

InChI

InChI=1S/C19H26O3/c1-9-13-12(11-15(20)21)10-14(22-8)17(19(5,6)7)16(13)18(2,3)4/h1,10H,11H2,2-8H3,(H,20,21)