(4-acetyloxy-5-chloranyl-2,3-dimethoxy-naphthalen-1-yl) 2,2-dimethylpentanoate

Systemtic Name: (4-acetyloxy-5-chloranyl-2,3-dimethoxy-naphthalen-1-yl) 2,2-dimethylpentanoate Openeye Name: (4-acetoxy-5-chloro-2,3-dimethoxy-1-naphthyl) 2,2-dimethylpentanoate CAS Name: 2,2-dimethylpentanoic acid (4-acetyloxy-5-chloro-2,3-dimethoxy-1-naphthalenyl) ester IUPAC Name: (4-acetyloxy-5-chloro-2,3-dimethoxynaphthalen-1-yl) 2,2-dimethylpentanoate Traditional Name: 2,2-dimethylvaleric acid (4-acetoxy-5-chloro-2,3-dimethoxy-1-naphthyl) ester Formula: C21H25ClO6 MolecularWeight: 408.8726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OC(=O)C)OC)OC

Isomeric SMILES

CCCC(C)(C)C(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OC(=O)C)OC)OC

InChI

InChI=1S/C21H25ClO6/c1-7-11-21(3,4)20(24)28-16-13-9-8-10-14(22)15(13)17(27-12(2)23)19(26-6)18(16)25-5/h8-10H,7,11H2,1-6H3