4-[3-(5-acetyloxypentoxy)-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-(5-acetyloxypentoxy)-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenoxy]butanoic acid Openeye Name: 4-[3-(5-acetoxypentoxy)-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenoxy]butanoic acid CAS Name: 4-[3-(5-acetyloxypentoxy)-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]butanoic acid IUPAC Name: 4-[3-(5-acetyloxypentoxy)-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]butanoic acid Traditional Name: 4-[3-(5-acetoxypentoxy)-4-[(E)-3-keto-3-methoxy-prop-1-enyl]phenoxy]butyric acid Formula: C21H28O8 MolecularWeight: 408.44222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCOC1=C(C=CC(=C1)OCCCC(=O)O)C=CC(=O)OC

Isomeric SMILES

CC(=O)OCCCCCOC1=C(C=CC(=C1)OCCCC(=O)O)/C=C/C(=O)OC

InChI

InChI=1S/C21H28O8/c1-16(22)27-12-4-3-5-13-29-19-15-18(28-14-6-7-20(23)24)10-8-17(19)9-11-21(25)26-2/h8-11,15H,3-7,12-14H2,1-2H3,(H,23,24)/b11-9+