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

Systemtic Name: 5-[4-(6-bromanylhexyl)-3-(3-ethoxy-3-oxidanylidene-propyl)phenyl]pentanoic acid Openeye Name: 5-[4-(6-bromohexyl)-3-(3-ethoxy-3-oxo-propyl)phenyl]pentanoic acid CAS Name: 5-[4-(6-bromohexyl)-3-(3-ethoxy-3-oxopropyl)phenyl]pentanoic acid IUPAC Name: 5-[4-(6-bromohexyl)-3-(3-ethoxy-3-oxopropyl)phenyl]pentanoic acid Traditional Name: 5-[4-(6-bromohexyl)-3-(3-ethoxy-3-keto-propyl)phenyl]valeric acid Formula: C22H33BrO4 MolecularWeight: 441.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33BrO4/c1-2-27-22(26)15-14-20-17-18(9-6-7-11-21(24)25)12-13-19(20)10-5-3-4-8-16-23/h12-13,17H,2-11,14-16H2,1H3,(H,24,25)