[(E,2E)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentylidene]non-4-en-6-ynyl] ethanoate

Systemtic Name: [(E,2E)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentylidene]non-4-en-6-ynyl] ethanoate Openeye Name: [(E,2E)-8,8-dimethyl-2-[5-[3-(3-thienyl)phenoxy]pentylidene]non-4-en-6-ynyl] acetate CAS Name: acetic acid [(E,2E)-8,8-dimethyl-2-[5-[3-(3-thiophenyl)phenoxy]pentylidene]non-4-en-6-ynyl] ester IUPAC Name: [(E,2E)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentylidene]non-4-en-6-ynyl] acetate Traditional Name: acetic acid [(E,2E)-8,8-dimethyl-2-[5-[3-(3-thienyl)phenoxy]pentylidene]non-4-en-6-ynyl] ester Formula: C28H34O3S MolecularWeight: 450.63276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=CCCCCOC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)C

Isomeric SMILES

CC(=O)OC/C(=C/CCCCOC1=CC=CC(=C1)C2=CSC=C2)/C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C28H34O3S/c1-23(29)31-21-24(12-7-5-9-17-28(2,3)4)13-8-6-10-18-30-27-15-11-14-25(20-27)26-16-19-32-22-26/h5,7,11,13-16,19-20,22H,6,8,10,12,18,21H2,1-4H3/b7-5+,24-13+