diethyl 2-butyl-2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]propanedioate

Systemtic Name: diethyl 2-butyl-2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]propanedioate Openeye Name: diethyl 2-butyl-2-(3-chloro-1,4-dioxo-2-naphthyl)propanedioate CAS Name: 2-butyl-2-(3-chloro-1,4-dioxo-2-naphthalenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-butyl-2-(3-chloro-1,4-dioxonaphthalen-2-yl)propanedioate Traditional Name: 2-butyl-2-(3-chloro-1,4-diketo-2-naphthyl)malonic acid diethyl ester Formula: C21H23ClO6 MolecularWeight: 406.85672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H23ClO6/c1-4-7-12-21(19(25)27-5-2,20(26)28-6-3)15-16(22)18(24)14-11-9-8-10-13(14)17(15)23/h8-11H,4-7,12H2,1-3H3