(E)-8,8-dimethyl-2-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]non-4-en-6-yn-1-ol

Systemtic Name: (E)-8,8-dimethyl-2-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]non-4-en-6-yn-1-ol Openeye Name: (E)-8,8-dimethyl-2-[[3-[[3-(3-thienyl)phenyl]methoxy]phenyl]methyl]non-4-en-6-yn-1-ol CAS Name: (E)-8,8-dimethyl-2-[[3-[[3-(3-thiophenyl)phenyl]methoxy]phenyl]methyl]-1-non-4-en-6-ynol IUPAC Name: (E)-8,8-dimethyl-2-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]non-4-en-6-yn-1-ol Traditional Name: (E)-8,8-dimethyl-2-[3-[3-(3-thienyl)benzyl]oxybenzyl]non-4-en-6-yn-1-ol Formula: C29H32O2S MolecularWeight: 444.62818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCC(CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3=CSC=C3)CO

Isomeric SMILES

CC(C)(C)C#C/C=C/CC(CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3=CSC=C3)CO

InChI

InChI=1S/C29H32O2S/c1-29(2,3)15-6-4-5-9-24(20-30)17-23-10-8-13-28(19-23)31-21-25-11-7-12-26(18-25)27-14-16-32-22-27/h4-5,7-8,10-14,16,18-19,22,24,30H,9,17,20-21H2,1-3H3/b5-4+