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

Systemtic Name: (E)-13-(1,3-benzodioxol-5-yloxy)-8-(1-hydroxyethyl)-12-oxidanyl-tridec-5-enoic acid Openeye Name: (E)-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-5-enoic acid CAS Name: (E)-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-8-(1-hydroxyethyl)-5-tridecenoic acid IUPAC Name: (E)-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-5-enoic acid Traditional Name: (E)-13-(1,3-benzodioxol-5-yloxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-5-enoic acid Formula: C22H32O7 MolecularWeight: 408.48528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O7/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/h2,4,11-13,16-18,23-24H,3,5-10,14-15H2,1H3,(H,25,26)/b4-2+