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

Systemtic Name: [6-chloranyl-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxy-naphthalen-1-yl] 3-bromanylbenzoate Openeye Name: [6-chloro-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxy-1-naphthyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [6-chloro-4-(3,3-dimethyl-1-oxopentoxy)-2,3-diethoxy-1-naphthalenyl] ester IUPAC Name: [6-chloro-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxynaphthalen-1-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [6-chloro-4-(3,3-dimethylpentanoyloxy)-2,3-diethoxy-1-naphthyl] ester Formula: C28H30BrClO6 MolecularWeight: 577.8912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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