[7-chloranyl-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxy-naphthalen-1-yl] 3-bromanylbenzoate

Systemtic Name: [7-chloranyl-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxy-naphthalen-1-yl] 3-bromanylbenzoate Openeye Name: [7-chloro-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxy-1-naphthyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [7-chloro-4-(3,3-dimethyl-1-oxopentoxy)-2,3-diethoxy-1-naphthalenyl] ester IUPAC Name: [7-chloro-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxynaphthalen-1-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [7-chloro-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxy-1-naphthyl] ester Formula: C28H30BrClO6 MolecularWeight: 577.8912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C3=CC(=CC=C3)Br)OCC)OCC

Isomeric SMILES

CCC(C)(C)CC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)Cl)OC(=O)C3=CC(=CC=C3)Br)OCC)OCC

InChI

InChI=1S/C28H30BrClO6/c1-6-28(4,5)16-22(31)35-23-20-13-12-19(30)15-21(20)24(26(34-8-3)25(23)33-7-2)36-27(32)17-10-9-11-18(29)14-17/h9-15H,6-8,16H2,1-5H3