6-chloranyl-4-methyl-7-(2-oxidanylidenepropoxy)chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-(2-oxidanylidenepropoxy)chromen-2-one Openeye Name: 7-acetonyloxy-6-chloro-4-methyl-chromen-2-one CAS Name: 6-chloro-4-methyl-7-(2-oxopropoxy)-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-(2-oxopropoxy)chromen-2-one Traditional Name: 7-acetonyloxy-6-chloro-4-methyl-coumarin Formula: C13H11ClO4 MolecularWeight: 266.67704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C

InChI

InChI=1S/C13H11ClO4/c1-7-3-13(16)18-11-5-12(17-6-8(2)15)10(14)4-9(7)11/h3-5H,6H2,1-2H3