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

Systemtic Name: (E,2Z)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentylidene]non-4-en-6-ynoic acid Openeye Name: (E,2Z)-8,8-dimethyl-2-[5-[3-(3-thienyl)phenoxy]pentylidene]non-4-en-6-ynoic acid CAS Name: (E,2Z)-8,8-dimethyl-2-[5-[3-(3-thiophenyl)phenoxy]pentylidene]non-4-en-6-ynoic acid IUPAC Name: (E,2Z)-8,8-dimethyl-2-[5-(3-thiophen-3-ylphenoxy)pentylidene]non-4-en-6-ynoic acid Traditional Name: (E,2Z)-8,8-dimethyl-2-[5-[3-(3-thienyl)phenoxy]pentylidene]non-4-en-6-ynoic acid Formula: C26H30O3S MolecularWeight: 422.5796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCC(=CCCCCOC1=CC=CC(=C1)C2=CSC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30O3S/c1-26(2,3)16-8-4-6-11-21(25(27)28)12-7-5-9-17-29-24-14-10-13-22(19-24)23-15-18-30-20-23/h4,6,10,12-15,18-20H,5,7,9,11,17H2,1-3H3,(H,27,28)/b6-4+,21-12-