methyl 2,4-bis(chloranyl)-3-[(E)-3-oxidanylidenebut-1-enyl]benzoate

Systemtic Name: methyl 2,4-bis(chloranyl)-3-[(E)-3-oxidanylidenebut-1-enyl]benzoate Openeye Name: methyl 2,4-dichloro-3-[(E)-3-oxobut-1-enyl]benzoate CAS Name: 2,4-dichloro-3-[(E)-3-oxobut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2,4-dichloro-3-[(E)-3-oxobut-1-enyl]benzoate Traditional Name: 2,4-dichloro-3-[(E)-3-ketobut-1-enyl]benzoic acid methyl ester Formula: C12H10Cl2O3 MolecularWeight: 273.112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C(C=CC(=C1Cl)C(=O)OC)Cl

Isomeric SMILES

CC(=O)/C=C/C1=C(C=CC(=C1Cl)C(=O)OC)Cl

InChI

InChI=1S/C12H10Cl2O3/c1-7(15)3-4-8-10(13)6-5-9(11(8)14)12(16)17-2/h3-6H,1-2H3/b4-3+