4-[3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-3,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]-3,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-chloro-phenyl]-3,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-chlorophenyl]-3,3-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-chlorophenyl]-3,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-chloro-phenyl]-4-keto-3,3-dimethyl-butyric acid Formula: C26H31ClO7 MolecularWeight: 490.97314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)C(C)(C)CC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)C(C)(C)CC(=O)O)Cl

InChI

InChI=1S/C26H31ClO7/c1-5-7-19-21(11-9-18(16(2)28)24(19)31)33-12-6-13-34-22-10-8-17(14-20(22)27)25(32)26(3,4)15-23(29)30/h8-11,14,31H,5-7,12-13,15H2,1-4H3,(H,29,30)