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

Systemtic Name: 13-(1,3-benzodioxol-5-yloxy)-8-ethanoyl-12-oxidanyl-tridec-5-ynoic acid Openeye Name: 8-acetyl-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-tridec-5-ynoic acid CAS Name: 8-acetyl-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-5-tridecynoic acid IUPAC Name: 8-acetyl-13-(1,3-benzodioxol-5-yloxy)-12-hydroxytridec-5-ynoic acid Traditional Name: 8-acetyl-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-tridec-5-ynoic acid Formula: C22H28O7 MolecularWeight: 404.45352

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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)CC#CCCCC(=O)O

InChI

InChI=1S/C22H28O7/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/h11-13,17-18,24H,3,5-10,14-15H2,1H3,(H,25,26)