3-[(1E,3E)-1-(3,4-didecoxyphenyl)-5-oxidanyl-5-oxidanylidene-penta-1,3-dien-2-yl]benzoic acid

Systemtic Name: 3-[(1E,3E)-1-(3,4-didecoxyphenyl)-5-oxidanyl-5-oxidanylidene-penta-1,3-dien-2-yl]benzoic acid Openeye Name: 3-[(E,1E)-1-[(3,4-didecoxyphenyl)methylene]-4-hydroxy-4-oxo-but-2-enyl]benzoic acid CAS Name: 3-[(1E,3E)-1-(3,4-didecoxyphenyl)-5-hydroxy-5-oxopenta-1,3-dien-2-yl]benzoic acid IUPAC Name: 3-[(1E,3E)-1-(3,4-didecoxyphenyl)-5-hydroxy-5-oxopenta-1,3-dien-2-yl]benzoic acid Traditional Name: 3-[(E,1E)-1-(3,4-didecoxybenzylidene)-4-hydroxy-4-keto-but-2-enyl]benzoic acid Formula: C38H54O6 MolecularWeight: 606.83176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C=C(C=CC(=O)O)C2=CC(=CC=C2)C(=O)O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)/C=C(\C=C\C(=O)O)/C2=CC(=CC=C2)C(=O)O)OCCCCCCCCCC

InChI

InChI=1S/C38H54O6/c1-3-5-7-9-11-13-15-17-26-43-35-24-22-31(29-36(35)44-27-18-16-14-12-10-8-6-4-2)28-33(23-25-37(39)40)32-20-19-21-34(30-32)38(41)42/h19-25,28-30H,3-18,26-27H2,1-2H3,(H,39,40)(H,41,42)/b25-23+,33-28+