6-chloranyl-3,4-dimethyl-7-(2-oxidanylidenepropoxy)chromen-2-one

Systemtic Name: 6-chloranyl-3,4-dimethyl-7-(2-oxidanylidenepropoxy)chromen-2-one Openeye Name: 7-acetonyloxy-6-chloro-3,4-dimethyl-chromen-2-one CAS Name: 6-chloro-3,4-dimethyl-7-(2-oxopropoxy)-1-benzopyran-2-one IUPAC Name: 6-chloro-3,4-dimethyl-7-(2-oxopropoxy)chromen-2-one Traditional Name: 7-acetonyloxy-6-chloro-3,4-dimethyl-coumarin Formula: C14H13ClO4 MolecularWeight: 280.70362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClO4/c1-7(16)6-18-13-5-12-10(4-11(13)15)8(2)9(3)14(17)19-12/h4-5H,6H2,1-3H3