(E)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentanoyl]non-4-en-6-ynoic acid

Systemtic Name: (E)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentanoyl]non-4-en-6-ynoic acid Openeye Name: (E)-8,8-dimethyl-2-[5-[3-(3-thienyl)phenoxy]pentanoyl]non-4-en-6-ynoic acid CAS Name: (E)-8,8-dimethyl-2-[1-oxo-5-[3-(3-thiophenyl)phenoxy]pentyl]non-4-en-6-ynoic acid IUPAC Name: (E)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentanoyl]non-4-en-6-ynoic acid Traditional Name: (E)-8,8-dimethyl-2-[5-[3-(3-thienyl)phenoxy]pentanoyl]non-4-en-6-ynoic acid Formula: C26H30O4S MolecularWeight: 438.579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O4S/c1-26(2,3)15-7-4-5-12-23(25(28)29)24(27)13-6-8-16-30-22-11-9-10-20(18-22)21-14-17-31-19-21/h4-5,9-11,14,17-19,23H,6,8,12-13,16H2,1-3H3,(H,28,29)/b5-4+