3-chloranyl-4-methyl-8-oxidanyl-7-(2-oxidanylidenepropoxy)chromen-2-one

Systemtic Name: 3-chloranyl-4-methyl-8-oxidanyl-7-(2-oxidanylidenepropoxy)chromen-2-one Openeye Name: 7-acetonyloxy-3-chloro-8-hydroxy-4-methyl-chromen-2-one CAS Name: 3-chloro-8-hydroxy-4-methyl-7-(2-oxopropoxy)-1-benzopyran-2-one IUPAC Name: 3-chloro-8-hydroxy-4-methyl-7-(2-oxopropoxy)chromen-2-one Traditional Name: 7-acetonyloxy-3-chloro-8-hydroxy-4-methyl-coumarin Formula: C13H11ClO5 MolecularWeight: 282.67644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2O)OCC(=O)C)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2O)OCC(=O)C)Cl

InChI

InChI=1S/C13H11ClO5/c1-6(15)5-18-9-4-3-8-7(2)10(14)13(17)19-12(8)11(9)16/h3-4,16H,5H2,1-2H3