(E)-13-(3-bromanylphenoxy)-8-(1-hydroxyethyl)-12-oxidanyl-tridec-5-enoic acid

Systemtic Name: (E)-13-(3-bromanylphenoxy)-8-(1-hydroxyethyl)-12-oxidanyl-tridec-5-enoic acid Openeye Name: (E)-13-(3-bromophenoxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-5-enoic acid CAS Name: (E)-13-(3-bromophenoxy)-12-hydroxy-8-(1-hydroxyethyl)-5-tridecenoic acid IUPAC Name: (E)-13-(3-bromophenoxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-5-enoic acid Traditional Name: (E)-13-(3-bromophenoxy)-12-hydroxy-8-(1-hydroxyethyl)tridec-5-enoic acid Formula: C21H31BrO5 MolecularWeight: 443.37184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC(COC1=CC(=CC=C1)Br)O)CC=CCCCC(=O)O)O

Isomeric SMILES

CC(C(CCCC(COC1=CC(=CC=C1)Br)O)C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C21H31BrO5/c1-16(23)17(8-4-2-3-5-13-21(25)26)9-6-11-19(24)15-27-20-12-7-10-18(22)14-20/h2,4,7,10,12,14,16-17,19,23-24H,3,5-6,8-9,11,13,15H2,1H3,(H,25,26)/b4-2+