(E)-6,12,12-trimethyl-1-(3-thiophen-3-ylphenoxy)tridec-8-en-10-yn-5-one

Systemtic Name: (E)-6,12,12-trimethyl-1-(3-thiophen-3-ylphenoxy)tridec-8-en-10-yn-5-one Openeye Name: (E)-6,12,12-trimethyl-1-[3-(3-thienyl)phenoxy]tridec-8-en-10-yn-5-one CAS Name: (E)-6,12,12-trimethyl-1-[3-(3-thiophenyl)phenoxy]-5-tridec-8-en-10-ynone IUPAC Name: (E)-6,12,12-trimethyl-1-(3-thiophen-3-ylphenoxy)tridec-8-en-10-yn-5-one Traditional Name: (E)-6,12,12-trimethyl-1-[3-(3-thienyl)phenoxy]tridec-8-en-10-yn-5-one Formula: C26H32O2S MolecularWeight: 408.59608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32O2S/c1-21(11-6-5-8-16-26(2,3)4)25(27)14-7-9-17-28-24-13-10-12-22(19-24)23-15-18-29-20-23/h5-6,10,12-13,15,18-21H,7,9,11,14,17H2,1-4H3/b6-5+