3-chloranyl-4,8-dimethyl-7-(2-oxidanylidenepropoxy)chromen-2-one

Systemtic Name: 3-chloranyl-4,8-dimethyl-7-(2-oxidanylidenepropoxy)chromen-2-one Openeye Name: 7-acetonyloxy-3-chloro-4,8-dimethyl-chromen-2-one CAS Name: 3-chloro-4,8-dimethyl-7-(2-oxopropoxy)-1-benzopyran-2-one IUPAC Name: 3-chloro-4,8-dimethyl-7-(2-oxopropoxy)chromen-2-one Traditional Name: 7-acetonyloxy-3-chloro-4,8-dimethyl-coumarin Formula: C14H13ClO4 MolecularWeight: 280.70362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C)Cl

InChI

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