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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C

InChI

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