4-[2,5-bis(bromanyl)-3,6-dimethoxy-4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]butanoic acid

Systemtic Name: 4-[2,5-bis(bromanyl)-3,6-dimethoxy-4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]butanoic acid Openeye Name: 4-[2,5-dibromo-4-(4-hydroxy-4-oxo-butyl)-3,6-dimethoxy-phenyl]butanoic acid CAS Name: 4-[2,5-dibromo-4-(4-hydroxy-4-oxobutyl)-3,6-dimethoxyphenyl]butanoic acid IUPAC Name: 4-[2,5-dibromo-4-(4-hydroxy-4-oxobutyl)-3,6-dimethoxyphenyl]butanoic acid Traditional Name: 4-[2,5-dibromo-4-(4-hydroxy-4-keto-butyl)-3,6-dimethoxy-phenyl]butyric acid Formula: C16H20Br2O6 MolecularWeight: 468.1344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1Br)CCCC(=O)O)OC)Br)CCCC(=O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1Br)CCCC(=O)O)OC)Br)CCCC(=O)O

InChI

InChI=1S/C16H20Br2O6/c1-23-15-9(5-3-7-11(19)20)14(18)16(24-2)10(13(15)17)6-4-8-12(21)22/h3-8H2,1-2H3,(H,19,20)(H,21,22)