3-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-5-methyl-2-oxidanyl-phenyl)-3-oxidanyl-propane-1,2-dione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-5-methyl-2-oxidanyl-phenyl)-3-oxidanyl-propane-1,2-dione Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-hydroxy-5-methyl-phenyl)-3-hydroxy-propane-1,2-dione CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-hydroxy-5-methylphenyl)-3-hydroxypropane-1,2-dione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-hydroxy-5-methylphenyl)-3-hydroxypropane-1,2-dione Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-hydroxy-5-methyl-phenyl)-3-hydroxy-propane-1,2-dione Formula: C17H13ClO6 MolecularWeight: 348.73452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C(=O)C(C2=CC3=C(C=C2)OCO3)O)O)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C(=O)C(C2=CC3=C(C=C2)OCO3)O)O)Cl

InChI

InChI=1S/C17H13ClO6/c1-8-4-10(15(20)11(18)5-8)16(21)17(22)14(19)9-2-3-12-13(6-9)24-7-23-12/h2-6,14,19-20H,7H2,1H3