(2E)-2-[(3,5-dimethoxy-2-octan-3-yl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(3,5-dimethoxy-2-octan-3-yl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[[2-(1-ethylhexyl)-4-hydroxy-3,5-dimethoxy-phenyl]methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(4-hydroxy-3,5-dimethoxy-2-octan-3-ylphenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(4-hydroxy-3,5-dimethoxy-2-octan-3-ylphenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-[2-(1-ethylhexyl)-4-hydroxy-3,5-dimethoxy-phenyl]acrylic acid Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=C(C=C1C=C(C(=O)C)C(=O)O)OC)O)OC

Isomeric SMILES

CCCCCC(CC)C1=C(C(=C(C=C1/C=C(\C(=O)C)/C(=O)O)OC)O)OC

InChI

InChI=1S/C21H30O6/c1-6-8-9-10-14(7-2)18-15(11-16(13(3)22)21(24)25)12-17(26-4)19(23)20(18)27-5/h11-12,14,23H,6-10H2,1-5H3,(H,24,25)/b16-11+