4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-5-oxidanylidene-2-(3-propylphenoxy)hexanoic acid

Systemtic Name: 4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-5-oxidanylidene-2-(3-propylphenoxy)hexanoic acid Openeye Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-5-oxo-2-(3-propylphenoxy)hexanoic acid CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-oxo-2-(3-propylphenoxy)hexanoic acid IUPAC Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-oxo-2-(3-propylphenoxy)hexanoic acid Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-5-keto-2-(3-propylphenoxy)hexanoic acid Formula: C29H38O8 MolecularWeight: 514.60722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)OC(CC(C(=O)C)OCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC)C(=O)O

Isomeric SMILES

CCCC1=CC(=CC=C1)OC(CC(C(=O)C)OCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC)C(=O)O

InChI

InChI=1S/C29H38O8/c1-5-9-21-11-7-12-22(17-21)37-27(29(33)34)18-26(20(4)31)36-16-8-15-35-25-14-13-23(19(3)30)28(32)24(25)10-6-2/h7,11-14,17,26-27,32H,5-6,8-10,15-16,18H2,1-4H3,(H,33,34)