(E)-13-(1,3-benzodioxol-5-yloxy)-8-ethanoyl-12-oxidanyl-tridec-5-enoic acid

Systemtic Name: (E)-13-(1,3-benzodioxol-5-yloxy)-8-ethanoyl-12-oxidanyl-tridec-5-enoic acid Openeye Name: (E)-8-acetyl-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-tridec-5-enoic acid CAS Name: (E)-8-acetyl-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-5-tridecenoic acid IUPAC Name: (E)-8-acetyl-13-(1,3-benzodioxol-5-yloxy)-12-hydroxytridec-5-enoic acid Traditional Name: (E)-8-acetyl-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-tridec-5-enoic acid Formula: C22H30O7 MolecularWeight: 406.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC(COC1=CC2=C(C=C1)OCO2)O)CC=CCCCC(=O)O

Isomeric SMILES

CC(=O)C(CCCC(COC1=CC2=C(C=C1)OCO2)O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C22H30O7/c1-16(23)17(7-4-2-3-5-10-22(25)26)8-6-9-18(24)14-27-19-11-12-20-21(13-19)29-15-28-20/h2,4,11-13,17-18,24H,3,5-10,14-15H2,1H3,(H,25,26)/b4-2+