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

Systemtic Name: 1-[4-[3-(2-bromanylphenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone; ethanoic acid Openeye Name: acetic acid; 1-[4-[3-(2-bromophenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: acetic acid; 1-[4-[3-(2-bromophenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: acetic acid; 1-[4-[3-(2-bromophenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: acetic acid; 1-[4-[3-(2-bromophenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C22H27BrO6 MolecularWeight: 467.35018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=CC=C2Br.CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=CC=C2Br.CC(=O)O

InChI

InChI=1S/C20H23BrO4.C2H4O2/c1-3-7-16-18(11-10-15(14(2)22)20(16)23)24-12-6-13-25-19-9-5-4-8-17(19)21;1-2(3)4/h4-5,8-11,23H,3,6-7,12-13H2,1-2H3;1H3,(H,3,4)