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

Systemtic Name: 7-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-3,4-dihydrochromen-2-one Openeye Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]chroman-2-one CAS Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-3,4-dihydrochromen-2-one Traditional Name: 7-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]chroman-2-one Formula: C25H30O6 MolecularWeight: 426.5021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC3=C(CCC(=O)O3)C=C2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC3=C(CCC(=O)O3)C=C2

InChI

InChI=1S/C25H30O6/c1-16(2)14-21(26)20-9-10-22(17(3)25(20)28)30-13-5-4-12-29-19-8-6-18-7-11-24(27)31-23(18)15-19/h6,8-10,15-16,28H,4-5,7,11-14H2,1-3H3