3-(6-chloranyl-4H-1,3-benzodioxin-8-yl)-1-(4-ethoxy-2-oxidanyl-phenyl)-2-methyl-butan-1-one

Systemtic Name: 3-(6-chloranyl-4H-1,3-benzodioxin-8-yl)-1-(4-ethoxy-2-oxidanyl-phenyl)-2-methyl-butan-1-one Openeye Name: 3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(4-ethoxy-2-hydroxy-phenyl)-2-methyl-butan-1-one CAS Name: 3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(4-ethoxy-2-hydroxyphenyl)-2-methyl-1-butanone IUPAC Name: 3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(4-ethoxy-2-hydroxyphenyl)-2-methylbutan-1-one Traditional Name: 3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(4-ethoxy-2-hydroxy-phenyl)-2-methyl-butan-1-one Formula: C21H23ClO5 MolecularWeight: 390.85732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)C(C)C(C)C2=C3C(=CC(=C2)Cl)COCO3)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)C(C)C(C)C2=C3C(=CC(=C2)Cl)COCO3)O

InChI

InChI=1S/C21H23ClO5/c1-4-26-16-5-6-17(19(23)9-16)20(24)13(3)12(2)18-8-15(22)7-14-10-25-11-27-21(14)18/h5-9,12-13,23H,4,10-11H2,1-3H3