5-[3-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]-2-(3-ethoxy-3-oxidanylidene-propyl)phenoxy]pentanoic acid

Systemtic Name: 5-[3-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]-2-(3-ethoxy-3-oxidanylidene-propyl)phenoxy]pentanoic acid Openeye Name: 5-[3-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]-2-(3-ethoxy-3-oxo-propyl)phenoxy]pentanoic acid CAS Name: 5-[3-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-2-(3-ethoxy-3-oxopropyl)phenoxy]pentanoic acid IUPAC Name: 5-[3-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-2-(3-ethoxy-3-oxopropyl)phenoxy]pentanoic acid Traditional Name: 5-[3-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]-2-(3-ethoxy-3-keto-propyl)phenoxy]valeric acid Formula: C31H42O9 MolecularWeight: 558.65978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCOC2=CC=CC(=C2CCC(=O)OCC)OCCCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCOC2=CC=CC(=C2CCC(=O)OCC)OCCCCC(=O)O

InChI

InChI=1S/C31H42O9/c1-5-11-25-28(17-15-23(22(3)32)31(25)36-4)40-21-10-20-39-27-13-9-12-26(38-19-8-7-14-29(33)34)24(27)16-18-30(35)37-6-2/h9,12-13,15,17H,5-8,10-11,14,16,18-21H2,1-4H3,(H,33,34)