4-[4-[2-[(6-chloranyl-4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]prop-2-enoxy]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-[(6-chloranyl-4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]prop-2-enoxy]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-[(4-acetyl-6-chloro-3-hydroxy-2-propyl-phenoxy)methyl]allyloxy]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[2-[(4-acetyl-6-chloro-3-hydroxy-2-propylphenoxy)methyl]prop-2-enoxy]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-[(4-acetyl-6-chloro-3-hydroxy-2-propylphenoxy)methyl]prop-2-enoxy]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[2-[(4-acetyl-6-chloro-3-hydroxy-2-propyl-phenoxy)methyl]allyloxy]phenyl]-4-keto-butyric acid Formula: C25H27ClO7 MolecularWeight: 474.93068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1OCC(=C)COC2=CC=C(C=C2)C(=O)CCC(=O)O)Cl)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OCC(=C)COC2=CC=C(C=C2)C(=O)CCC(=O)O)Cl)C(=O)C)O

InChI

InChI=1S/C25H27ClO7/c1-4-5-19-24(31)20(16(3)27)12-21(26)25(19)33-14-15(2)13-32-18-8-6-17(7-9-18)22(28)10-11-23(29)30/h6-9,12,31H,2,4-5,10-11,13-14H2,1,3H3,(H,29,30)