(E,3S)-1-(4-methoxy-2,3,6-trimethyl-phenyl)-3-methyl-pent-1-en-4-yn-3-ol

Systemtic Name: (E,3S)-1-(4-methoxy-2,3,6-trimethyl-phenyl)-3-methyl-pent-1-en-4-yn-3-ol Openeye Name: (E,3S)-1-(4-methoxy-2,3,6-trimethyl-phenyl)-3-methyl-pent-1-en-4-yn-3-ol CAS Name: (E,3S)-1-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-3-pent-1-en-4-ynol IUPAC Name: (E,3S)-1-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-en-4-yn-3-ol Traditional Name: (E,3S)-1-(4-methoxy-2,3,6-trimethyl-phenyl)-3-methyl-pent-1-en-4-yn-3-ol Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C=CC(C)(C#C)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1/C=C/[C@@](C)(C#C)O)C)C)OC

InChI

InChI=1S/C16H20O2/c1-7-16(5,17)9-8-14-11(2)10-15(18-6)13(4)12(14)3/h1,8-10,17H,2-6H3/b9-8+/t16-/m1/s1