(E)-8-methyl-2-[(E)-6-(3-thiophen-3-ylphenyl)hex-5-enyl]non-4-en-6-ynoic acid

Systemtic Name: (E)-8-methyl-2-[(E)-6-(3-thiophen-3-ylphenyl)hex-5-enyl]non-4-en-6-ynoic acid Openeye Name: (E)-8-methyl-2-[(E)-6-[3-(3-thienyl)phenyl]hex-5-enyl]non-4-en-6-ynoic acid CAS Name: (E)-8-methyl-2-[(E)-6-[3-(3-thiophenyl)phenyl]hex-5-enyl]non-4-en-6-ynoic acid IUPAC Name: (E)-8-methyl-2-[(E)-6-(3-thiophen-3-ylphenyl)hex-5-enyl]non-4-en-6-ynoic acid Traditional Name: (E)-8-methyl-2-[(E)-6-[3-(3-thienyl)phenyl]hex-5-enyl]non-4-en-6-ynoic acid Formula: C26H30O2S MolecularWeight: 406.5802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC=CCC(CCCCC=CC1=CC=CC(=C1)C2=CSC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30O2S/c1-21(2)11-6-5-9-15-23(26(27)28)14-8-4-3-7-12-22-13-10-16-24(19-22)25-17-18-29-20-25/h5,7,9-10,12-13,16-21,23H,3-4,8,14-15H2,1-2H3,(H,27,28)/b9-5+,12-7+