(4-butanoyloxy-7-chloranyl-2,3-diphenoxy-naphthalen-1-yl) 2,2-dimethylbutanoate

Systemtic Name: (4-butanoyloxy-7-chloranyl-2,3-diphenoxy-naphthalen-1-yl) 2,2-dimethylbutanoate Openeye Name: (4-butanoyloxy-7-chloro-2,3-diphenoxy-1-naphthyl) 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [7-chloro-4-(1-oxobutoxy)-2,3-diphenoxy-1-naphthalenyl] ester IUPAC Name: (4-butanoyloxy-7-chloro-2,3-diphenoxynaphthalen-1-yl) 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid (4-butyryloxy-7-chloro-2,3-diphenoxy-1-naphthyl) ester Formula: C32H31ClO6 MolecularWeight: 547.03794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C(C)(C)CC)OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C(C)(C)CC)OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C32H31ClO6/c1-5-13-26(34)38-27-24-19-18-21(33)20-25(24)28(39-31(35)32(3,4)6-2)30(37-23-16-11-8-12-17-23)29(27)36-22-14-9-7-10-15-22/h7-12,14-20H,5-6,13H2,1-4H3