(E)-3-[2-(5-acetyloxypentoxy)-6-(6-oxidanylhex-1-ynyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(5-acetyloxypentoxy)-6-(6-oxidanylhex-1-ynyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(5-acetoxypentoxy)-6-(6-hydroxyhex-1-ynyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(5-acetyloxypentoxy)-6-(6-hydroxyhex-1-ynyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(5-acetyloxypentoxy)-6-(6-hydroxyhex-1-ynyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(5-acetoxypentoxy)-6-(6-hydroxyhex-1-ynyl)phenyl]acrylic acid Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCOC1=CC=CC(=C1C=CC(=O)O)C#CCCCCO

Isomeric SMILES

CC(=O)OCCCCCOC1=CC=CC(=C1/C=C/C(=O)O)C#CCCCCO

InChI

InChI=1S/C22H28O6/c1-18(24)27-16-7-4-8-17-28-21-12-9-11-19(10-5-2-3-6-15-23)20(21)13-14-22(25)26/h9,11-14,23H,2-4,6-8,15-17H2,1H3,(H,25,26)/b14-13+