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

Systemtic Name: (E)-2,8,8-trimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentanoyl]non-4-en-6-ynoic acid Openeye Name: (E)-2,8,8-trimethyl-2-[5-[3-(3-thienyl)phenoxy]pentanoyl]non-4-en-6-ynoic acid CAS Name: (E)-2,8,8-trimethyl-2-[1-oxo-5-[3-(3-thiophenyl)phenoxy]pentyl]non-4-en-6-ynoic acid IUPAC Name: (E)-2,8,8-trimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentanoyl]non-4-en-6-ynoic acid Traditional Name: (E)-2,8,8-trimethyl-2-[5-[3-(3-thienyl)phenoxy]pentanoyl]non-4-en-6-ynoic acid Formula: C27H32O4S MolecularWeight: 452.60558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O4S/c1-26(2,3)15-7-5-8-16-27(4,25(29)30)24(28)13-6-9-17-31-23-12-10-11-21(19-23)22-14-18-32-20-22/h5,8,10-12,14,18-20H,6,9,13,16-17H2,1-4H3,(H,29,30)/b8-5+