1-bromanyloctan-2-yl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: 1-bromanyloctan-2-yl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: 1-(bromomethyl)heptyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 1-bromooctan-2-yl ester IUPAC Name: 1-bromooctan-2-yl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 1-(bromomethyl)heptyl ester Formula: C18H29BrO4 MolecularWeight: 389.32446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CBr)OC(=O)C12CCC(C1(C)C)(C(=O)O2)C

Isomeric SMILES

CCCCCCC(CBr)OC(=O)C12CCC(C1(C)C)(C(=O)O2)C

InChI

InChI=1S/C18H29BrO4/c1-5-6-7-8-9-13(12-19)22-15(21)18-11-10-17(4,14(20)23-18)16(18,2)3/h13H,5-12H2,1-4H3