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

Systemtic Name: 4-[3-(1-acetyloxypentoxy)-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenoxy]butanoic acid Openeye Name: 4-[3-(1-acetoxypentoxy)-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenoxy]butanoic acid CAS Name: 4-[3-(1-acetyloxypentoxy)-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]butanoic acid IUPAC Name: 4-[3-(1-acetyloxypentoxy)-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]butanoic acid Traditional Name: 4-[3-(1-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:

CCCCC(OC1=C(C=CC(=C1)OCCCC(=O)O)C=CC(=O)OC)OC(=O)C

Isomeric SMILES

CCCCC(OC1=C(C=CC(=C1)OCCCC(=O)O)/C=C/C(=O)OC)OC(=O)C

InChI

InChI=1S/C21H28O8/c1-4-5-8-21(28-15(2)22)29-18-14-17(27-13-6-7-19(23)24)11-9-16(18)10-12-20(25)26-3/h9-12,14,21H,4-8,13H2,1-3H3,(H,23,24)/b12-10+