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

Systemtic Name: 4-methyl-7-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]chromen-2-one Openeye Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-4-methyl-chromen-2-one CAS Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-4-methylchromen-2-one Traditional Name: 7-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]-4-methyl-coumarin Formula: C26H30O6 MolecularWeight: 438.5128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCCCCOC3=C(C(=C(C=C3)C(=O)CC(C)C)O)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCCCOC3=C(C(=C(C=C3)C(=O)CC(C)C)O)C

InChI

InChI=1S/C26H30O6/c1-16(2)13-22(27)21-9-10-23(18(4)26(21)29)31-12-6-5-11-30-19-7-8-20-17(3)14-25(28)32-24(20)15-19/h7-10,14-16,29H,5-6,11-13H2,1-4H3