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

Systemtic Name: 7-[3-[2-bromanyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]propoxy]chromen-2-one Openeye Name: 7-[3-[2-bromo-3-hydroxy-4-(3-methylbutanoyl)phenoxy]propoxy]chromen-2-one CAS Name: 7-[3-[2-bromo-3-hydroxy-4-(3-methyl-1-oxobutyl)phenoxy]propoxy]-1-benzopyran-2-one IUPAC Name: 7-[3-[2-bromo-3-hydroxy-4-(3-methylbutanoyl)phenoxy]propoxy]chromen-2-one Traditional Name: 7-[3-(2-bromo-3-hydroxy-4-isovaleryl-phenoxy)propoxy]coumarin Formula: C23H23BrO6 MolecularWeight: 475.32912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCOC2=CC3=C(C=C2)C=CC(=O)O3)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCOC2=CC3=C(C=C2)C=CC(=O)O3)Br)O

InChI

InChI=1S/C23H23BrO6/c1-14(2)12-18(25)17-7-8-19(22(24)23(17)27)29-11-3-10-28-16-6-4-15-5-9-21(26)30-20(15)13-16/h4-9,13-14,27H,3,10-12H2,1-2H3