carboxy 5-[(2S)-2-bromanylpropyl]-4,6-dimethyl-1,3-benzodioxole-2-carboxylate

Systemtic Name: carboxy 5-[(2S)-2-bromanylpropyl]-4,6-dimethyl-1,3-benzodioxole-2-carboxylate Openeye Name: carboxy 5-[(2S)-2-bromopropyl]-4,6-dimethyl-1,3-benzodioxole-2-carboxylate CAS Name: 5-[(2S)-2-bromopropyl]-4,6-dimethyl-1,3-benzodioxole-2-carboxylic acid carboxy ester IUPAC Name: carboxy 5-[(2S)-2-bromopropyl]-4,6-dimethyl-1,3-benzodioxole-2-carboxylate Traditional Name: 5-[(2S)-2-bromopropyl]-4,6-dimethyl-1,3-benzodioxole-2-carboxylic acid carboxy ester Formula: C14H15BrO6 MolecularWeight: 359.1693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1CC(C)Br)C)OC(O2)C(=O)OC(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1C[C@H](C)Br)C)OC(O2)C(=O)OC(=O)O

InChI

InChI=1S/C14H15BrO6/c1-6-4-10-11(8(3)9(6)5-7(2)15)20-13(19-10)12(16)21-14(17)18/h4,7,13H,5H2,1-3H3,(H,17,18)/t7-,13?/m0/s1