(4S)-4-(4-methoxyphenyl)-4,5,5-trimethyl-hex-2-ynoic acid

Systemtic Name: (4S)-4-(4-methoxyphenyl)-4,5,5-trimethyl-hex-2-ynoic acid Openeye Name: (4S)-4-(4-methoxyphenyl)-4,5,5-trimethyl-hex-2-ynoic acid CAS Name: (4S)-4-(4-methoxyphenyl)-4,5,5-trimethyl-2-hexynoic acid IUPAC Name: (4S)-4-(4-methoxyphenyl)-4,5,5-trimethylhex-2-ynoic acid Traditional Name: (4S)-4-(4-methoxyphenyl)-4,5,5-trimethyl-hex-2-ynoic acid Formula: C16H20O3 MolecularWeight: 260.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@](C#CC(=O)O)(C1=CC=C(C=C1)OC)C(C)(C)C

InChI

InChI=1S/C16H20O3/c1-15(2,3)16(4,11-10-14(17)18)12-6-8-13(19-5)9-7-12/h6-9H,1-5H3,(H,17,18)/t16-/m1/s1