7-[4-[2-bromanyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]chromen-2-one

Systemtic Name: 7-[4-[2-bromanyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]chromen-2-one Openeye Name: 7-[4-[2-bromo-3-hydroxy-4-(3-methylbutanoyl)phenoxy]butoxy]chromen-2-one CAS Name: 7-[4-[2-bromo-3-hydroxy-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]-1-benzopyran-2-one IUPAC Name: 7-[4-[2-bromo-3-hydroxy-4-(3-methylbutanoyl)phenoxy]butoxy]chromen-2-one Traditional Name: 7-[4-(2-bromo-3-hydroxy-4-isovaleryl-phenoxy)butoxy]coumarin Formula: C24H25BrO6 MolecularWeight: 489.3557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCOC2=CC3=C(C=C2)C=CC(=O)O3)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCOC2=CC3=C(C=C2)C=CC(=O)O3)Br)O

InChI

InChI=1S/C24H25BrO6/c1-15(2)13-19(26)18-8-9-20(23(25)24(18)28)30-12-4-3-11-29-17-7-5-16-6-10-22(27)31-21(16)14-17/h5-10,14-15,28H,3-4,11-13H2,1-2H3