1-[4-[4-(3-chloranylphenoxy)butoxy]-3-methyl-2-oxidanyl-phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[4-(3-chloranylphenoxy)butoxy]-3-methyl-2-oxidanyl-phenyl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-(3-chlorophenoxy)butoxy]-2-hydroxy-3-methyl-phenyl]-3-methyl-butan-1-one CAS Name: 1-[4-[4-(3-chlorophenoxy)butoxy]-2-hydroxy-3-methylphenyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(3-chlorophenoxy)butoxy]-2-hydroxy-3-methylphenyl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-(3-chlorophenoxy)butoxy]-2-hydroxy-3-methyl-phenyl]-3-methyl-butan-1-one Formula: C22H27ClO4 MolecularWeight: 390.90038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H27ClO4/c1-15(2)13-20(24)19-9-10-21(16(3)22(19)25)27-12-5-4-11-26-18-8-6-7-17(23)14-18/h6-10,14-15,25H,4-5,11-13H2,1-3H3