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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCOC=C(C1=CC=CC=C1C#CCCCCO)C(=O)O

Isomeric SMILES

CC(=O)OCCCCCO/C=C(/C1=CC=CC=C1C#CCCCCO)\C(=O)O

InChI

InChI=1S/C22H28O6/c1-18(24)28-16-10-4-9-15-27-17-21(22(25)26)20-13-7-6-12-19(20)11-5-2-3-8-14-23/h6-7,12-13,17,23H,2-4,8-10,14-16H2,1H3,(H,25,26)/b21-17-