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

Systemtic Name: 3-chloranyl-4-methyl-7-oxidanyl-8-(2-oxidanylidenepropoxy)chromen-2-one Openeye Name: 8-acetonyloxy-3-chloro-7-hydroxy-4-methyl-chromen-2-one CAS Name: 3-chloro-7-hydroxy-4-methyl-8-(2-oxopropoxy)-1-benzopyran-2-one IUPAC Name: 3-chloro-7-hydroxy-4-methyl-8-(2-oxopropoxy)chromen-2-one Traditional Name: 8-acetonyloxy-3-chloro-7-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(=C2OCC(=O)C)O)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OCC(=O)C)O)Cl

InChI

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