5-[4-(6-bromanylhexyl)-3-(3-ethoxy-3-oxidanylidene-propyl)phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(6-bromanylhexyl)-3-(3-ethoxy-3-oxidanylidene-propyl)phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(6-bromohexyl)-3-(3-ethoxy-3-oxo-propyl)phenyl]-5-oxo-pentanoic acid CAS Name: 5-[4-(6-bromohexyl)-3-(3-ethoxy-3-oxopropyl)phenyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(6-bromohexyl)-3-(3-ethoxy-3-oxopropyl)phenyl]-5-oxopentanoic acid Traditional Name: 5-[4-(6-bromohexyl)-3-(3-ethoxy-3-keto-propyl)phenyl]-5-keto-valeric acid Formula: C22H31BrO5 MolecularWeight: 455.38254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC(=C1)C(=O)CCCC(=O)O)CCCCCCBr

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC(=C1)C(=O)CCCC(=O)O)CCCCCCBr

InChI

InChI=1S/C22H31BrO5/c1-2-28-22(27)14-13-18-16-19(20(24)9-7-10-21(25)26)12-11-17(18)8-5-3-4-6-15-23/h11-12,16H,2-10,13-15H2,1H3,(H,25,26)