(E)-8,8-dimethyl-2-[(E)-6-(3-thiophen-3-ylphenyl)hex-5-enoyl]non-4-en-6-ynoic acid

Systemtic Name: (E)-8,8-dimethyl-2-[(E)-6-(3-thiophen-3-ylphenyl)hex-5-enoyl]non-4-en-6-ynoic acid Openeye Name: (E)-8,8-dimethyl-2-[(E)-6-[3-(3-thienyl)phenyl]hex-5-enoyl]non-4-en-6-ynoic acid CAS Name: (E)-8,8-dimethyl-2-[(E)-1-oxo-6-[3-(3-thiophenyl)phenyl]hex-5-enyl]non-4-en-6-ynoic acid IUPAC Name: (E)-8,8-dimethyl-2-[(E)-6-(3-thiophen-3-ylphenyl)hex-5-enoyl]non-4-en-6-ynoic acid Traditional Name: (E)-8,8-dimethyl-2-[(E)-6-[3-(3-thienyl)phenyl]hex-5-enoyl]non-4-en-6-ynoic acid Formula: C27H30O3S MolecularWeight: 434.5903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O3S/c1-27(2,3)17-9-5-7-14-24(26(29)30)25(28)15-8-4-6-11-21-12-10-13-22(19-21)23-16-18-31-20-23/h5-7,10-13,16,18-20,24H,4,8,14-15H2,1-3H3,(H,29,30)/b7-5+,11-6+