(E)-8-ethanoyl-13-(3-ethoxyphenoxy)-12-oxidanyl-tridec-5-enoic acid

Systemtic Name: (E)-8-ethanoyl-13-(3-ethoxyphenoxy)-12-oxidanyl-tridec-5-enoic acid Openeye Name: (E)-8-acetyl-13-(3-ethoxyphenoxy)-12-hydroxy-tridec-5-enoic acid CAS Name: (E)-8-acetyl-13-(3-ethoxyphenoxy)-12-hydroxy-5-tridecenoic acid IUPAC Name: (E)-8-acetyl-13-(3-ethoxyphenoxy)-12-hydroxytridec-5-enoic acid Traditional Name: (E)-8-acetyl-13-(3-ethoxyphenoxy)-12-hydroxy-tridec-5-enoic acid Formula: C23H34O6 MolecularWeight: 406.51246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)OCC(CCCC(CC=CCCCC(=O)O)C(=O)C)O

Isomeric SMILES

CCOC1=CC(=CC=C1)OCC(CCCC(C/C=C/CCCC(=O)O)C(=O)C)O

InChI

InChI=1S/C23H34O6/c1-3-28-21-13-9-14-22(16-21)29-17-20(25)12-8-11-19(18(2)24)10-6-4-5-7-15-23(26)27/h4,6,9,13-14,16,19-20,25H,3,5,7-8,10-12,15,17H2,1-2H3,(H,26,27)/b6-4+