(2E,4E)-5-[3-(3-tert-butyl-5-pentyl-2-propoxy-phenyl)thiophen-2-yl]-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-[3-(3-tert-butyl-5-pentyl-2-propoxy-phenyl)thiophen-2-yl]-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-[3-(3-tert-butyl-5-pentyl-2-propoxy-phenyl)-2-thienyl]-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-[3-(3-tert-butyl-5-pentyl-2-propoxyphenyl)-2-thiophenyl]-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-[3-(3-tert-butyl-5-pentyl-2-propoxyphenyl)thiophen-2-yl]-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-[3-(5-amyl-3-tert-butyl-2-propoxy-phenyl)-2-thienyl]-3-methyl-penta-2,4-dienoic acid Formula: C28H38O3S MolecularWeight: 454.66452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)C2=C(SC=C2)C=CC(=CC(=O)O)C)OCCC)C(C)(C)C

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)C2=C(SC=C2)/C=C/C(=C/C(=O)O)/C)OCCC)C(C)(C)C

InChI

InChI=1S/C28H38O3S/c1-7-9-10-11-21-18-23(27(31-15-8-2)24(19-21)28(4,5)6)22-14-16-32-25(22)13-12-20(3)17-26(29)30/h12-14,16-19H,7-11,15H2,1-6H3,(H,29,30)/b13-12+,20-17+