4-[3-methanoyl-4-[6-(oxan-2-yloxy)hex-1-ynyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-methanoyl-4-[6-(oxan-2-yloxy)hex-1-ynyl]phenoxy]butanoic acid Openeye Name: 4-[3-formyl-4-(6-tetrahydropyran-2-yloxyhex-1-ynyl)phenoxy]butanoic acid CAS Name: 4-[3-formyl-4-[6-(2-oxanyloxy)hex-1-ynyl]phenoxy]butanoic acid IUPAC Name: 4-[3-formyl-4-[6-(oxan-2-yloxy)hex-1-ynyl]phenoxy]butanoic acid Traditional Name: 4-[3-formyl-4-(6-tetrahydropyran-2-yloxyhex-1-ynyl)phenoxy]butyric acid Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCCC#CC2=C(C=C(C=C2)OCCCC(=O)O)C=O

Isomeric SMILES

C1CCOC(C1)OCCCCC#CC2=C(C=C(C=C2)OCCCC(=O)O)C=O

InChI

InChI=1S/C22H28O6/c23-17-19-16-20(26-15-7-9-21(24)25)12-11-18(19)8-3-1-2-5-13-27-22-10-4-6-14-28-22/h11-12,16-17,22H,1-2,4-7,9-10,13-15H2,(H,24,25)