ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2,4-bis(oxidanylidene)-4-phenyl-butanoate

Systemtic Name: ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2,4-bis(oxidanylidene)-4-phenyl-butanoate Openeye Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-4-phenyl-butanoate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-4-phenylbutanoate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-diketo-4-phenyl-butyric acid ethyl ester Formula: C20H17ClO6 MolecularWeight: 388.79838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(CC1=CC2=C(C=C1Cl)OCO2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=O)C(CC1=CC2=C(C=C1Cl)OCO2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClO6/c1-2-25-20(24)19(23)14(18(22)12-6-4-3-5-7-12)8-13-9-16-17(10-15(13)21)27-11-26-16/h3-7,9-10,14H,2,8,11H2,1H3