(E,3Z)-9,9-dimethyl-3-[5-(3-thiophen-3-ylphenoxy)pentylidene]dec-5-en-7-yn-1-ol

Systemtic Name: (E,3Z)-9,9-dimethyl-3-[5-(3-thiophen-3-ylphenoxy)pentylidene]dec-5-en-7-yn-1-ol Openeye Name: (E,3Z)-9,9-dimethyl-3-[5-[3-(3-thienyl)phenoxy]pentylidene]dec-5-en-7-yn-1-ol CAS Name: (E,3Z)-9,9-dimethyl-3-[5-[3-(3-thiophenyl)phenoxy]pentylidene]-1-dec-5-en-7-ynol IUPAC Name: (E,3Z)-9,9-dimethyl-3-[5-(3-thiophen-3-ylphenoxy)pentylidene]dec-5-en-7-yn-1-ol Traditional Name: (E,3Z)-9,9-dimethyl-3-[5-[3-(3-thienyl)phenoxy]pentylidene]dec-5-en-7-yn-1-ol Formula: C27H34O2S MolecularWeight: 422.62266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCC(=CCCCCOC1=CC=CC(=C1)C2=CSC=C2)CCO

Isomeric SMILES

CC(C)(C)C#C/C=C/C/C(=C/CCCCOC1=CC=CC(=C1)C2=CSC=C2)/CCO

InChI

InChI=1S/C27H34O2S/c1-27(2,3)17-8-4-6-11-23(15-18-28)12-7-5-9-19-29-26-14-10-13-24(21-26)25-16-20-30-22-25/h4,6,10,12-14,16,20-22,28H,5,7,9,11,15,18-19H2,1-3H3/b6-4+,23-12-