[(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-methyl-3-oxidanylidene-propyl] 4-bromanylbenzoate

Systemtic Name: [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-methyl-3-oxidanylidene-propyl] 4-bromanylbenzoate Openeye Name: [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-methyl-3-oxo-propyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-methyl-3-oxopropyl] ester IUPAC Name: [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-2-methyl-3-oxopropyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxy-3-keto-2-methyl-propyl] ester Formula: C18H23BrO6 MolecularWeight: 415.27562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(COC(=O)C1=CC=C(C=C1)Br)C2COC(O2)(C)C

Isomeric SMILES

CCOC(=O)[C@@](C)(COC(=O)C1=CC=C(C=C1)Br)[C@@H]2COC(O2)(C)C

InChI

InChI=1S/C18H23BrO6/c1-5-22-16(21)18(4,14-10-24-17(2,3)25-14)11-23-15(20)12-6-8-13(19)9-7-12/h6-9,14H,5,10-11H2,1-4H3/t14-,18-/m0/s1