(E)-13-(3-ethylphenoxy)-8-(1-hydroxyethyl)-12-oxidanyl-tridec-2-enoic acid

Systemtic Name: (E)-13-(3-ethylphenoxy)-8-(1-hydroxyethyl)-12-oxidanyl-tridec-2-enoic acid Openeye Name: (E)-13-(3-ethylphenoxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-2-enoic acid CAS Name: (E)-13-(3-ethylphenoxy)-12-hydroxy-8-(1-hydroxyethyl)-2-tridecenoic acid IUPAC Name: (E)-13-(3-ethylphenoxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-2-enoic acid Traditional Name: (E)-13-(3-ethylphenoxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-2-enoic acid Formula: C23H36O5 MolecularWeight: 392.52894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CCCC(CCCCC=CC(=O)O)C(C)O)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CCCC(CCCC/C=C/C(=O)O)C(C)O)O

InChI

InChI=1S/C23H36O5/c1-3-19-10-8-14-22(16-19)28-17-21(25)13-9-12-20(18(2)24)11-6-4-5-7-15-23(26)27/h7-8,10,14-16,18,20-21,24-25H,3-6,9,11-13,17H2,1-2H3,(H,26,27)/b15-7+