13-(3-bromanylphenoxy)-8-ethanoyl-12-oxidanyl-tridecanoic acid

Systemtic Name: 13-(3-bromanylphenoxy)-8-ethanoyl-12-oxidanyl-tridecanoic acid Openeye Name: 8-acetyl-13-(3-bromophenoxy)-12-hydroxy-tridecanoic acid CAS Name: 8-acetyl-13-(3-bromophenoxy)-12-hydroxytridecanoic acid IUPAC Name: 8-acetyl-13-(3-bromophenoxy)-12-hydroxytridecanoic acid Traditional Name: 8-acetyl-13-(3-bromophenoxy)-12-hydroxy-tridecanoic acid Formula: C21H31BrO5 MolecularWeight: 443.37184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC(=CC=C1)Br)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/h7,10,12,14,17,19,24H,2-6,8-9,11,13,15H2,1H3,(H,25,26)