carboxy (2S)-4,6-dimethyl-5-(2-oxidanylpropyl)-1,3-benzodioxole-2-carboxylate

Systemtic Name: carboxy (2S)-4,6-dimethyl-5-(2-oxidanylpropyl)-1,3-benzodioxole-2-carboxylate Openeye Name: carboxy (2S)-5-(2-hydroxypropyl)-4,6-dimethyl-1,3-benzodioxole-2-carboxylate CAS Name: (2S)-5-(2-hydroxypropyl)-4,6-dimethyl-1,3-benzodioxole-2-carboxylic acid carboxy ester IUPAC Name: carboxy (2S)-5-(2-hydroxypropyl)-4,6-dimethyl-1,3-benzodioxole-2-carboxylate Traditional Name: (2S)-5-(2-hydroxypropyl)-4,6-dimethyl-1,3-benzodioxole-2-carboxylic acid carboxy ester Formula: C14H16O7 MolecularWeight: 296.27264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC2=C(C(=C1CC(C)O)C)O[C@H](O2)C(=O)OC(=O)O

InChI

InChI=1S/C14H16O7/c1-6-4-10-11(8(3)9(6)5-7(2)15)20-13(19-10)12(16)21-14(17)18/h4,7,13,15H,5H2,1-3H3,(H,17,18)/t7?,13-/m0/s1