1-[3-bromanyl-2-oxidanyl-4-(4-phenoxybutoxy)phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[3-bromanyl-2-oxidanyl-4-(4-phenoxybutoxy)phenyl]-3-methyl-butan-1-one Openeye Name: 1-[3-bromo-2-hydroxy-4-(4-phenoxybutoxy)phenyl]-3-methyl-butan-1-one CAS Name: 1-[3-bromo-2-hydroxy-4-(4-phenoxybutoxy)phenyl]-3-methyl-1-butanone IUPAC Name: 1-[3-bromo-2-hydroxy-4-(4-phenoxybutoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[3-bromo-2-hydroxy-4-(4-phenoxybutoxy)phenyl]-3-methyl-butan-1-one Formula: C21H25BrO4 MolecularWeight: 421.3248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCOC2=CC=CC=C2)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCOC2=CC=CC=C2)Br)O

InChI

InChI=1S/C21H25BrO4/c1-15(2)14-18(23)17-10-11-19(20(22)21(17)24)26-13-7-6-12-25-16-8-4-3-5-9-16/h3-5,8-11,15,24H,6-7,12-14H2,1-2H3