1-[4-[3-(2-bromanylphenoxy)-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone; ethanoic acid

Systemtic Name: 1-[4-[3-(2-bromanylphenoxy)-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone; ethanoic acid Openeye Name: acetic acid; 1-[4-[3-(2-bromophenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: acetic acid; 1-[4-[3-(2-bromophenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: acetic acid; 1-[4-[3-(2-bromophenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: acetic acid; 1-[4-[3-(2-bromophenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C22H27BrO7 MolecularWeight: 483.34958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC=C2Br)O.CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC=C2Br)O.CC(=O)O

InChI

InChI=1S/C20H23BrO5.C2H4O2/c1-3-6-16-18(10-9-15(13(2)22)20(16)24)25-11-14(23)12-26-19-8-5-4-7-17(19)21;1-2(3)4/h4-5,7-10,14,23-24H,3,6,11-12H2,1-2H3;1H3,(H,3,4)