6-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-2,3-dihydroinden-1-one

Systemtic Name: 6-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-2,3-dihydroinden-1-one Openeye Name: 6-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]indan-1-one CAS Name: 6-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]-2,3-dihydroinden-1-one IUPAC Name: 6-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-2,3-dihydroinden-1-one Traditional Name: 6-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]indan-1-one Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC3=C(CCC3=O)C=C2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC3=C(CCC3=O)C=C2

InChI

InChI=1S/C25H30O5/c1-16(2)14-23(27)20-9-11-24(17(3)25(20)28)30-13-5-4-12-29-19-8-6-18-7-10-22(26)21(18)15-19/h6,8-9,11,15-16,28H,4-5,7,10,12-14H2,1-3H3