2,3,4,5-tetradeuterio-6-(2-ethyl-5-oxidanyl-hexoxy)carbonyl-benzoic acid

Systemtic Name: 2,3,4,5-tetradeuterio-6-(2-ethyl-5-oxidanyl-hexoxy)carbonyl-benzoic acid Openeye Name: 2,3,4,5-tetradeuterio-6-(2-ethyl-5-hydroxy-hexoxy)carbonyl-benzoic acid CAS Name: 2,3,4,5-tetradeuterio-6-[(2-ethyl-5-hydroxyhexoxy)-oxomethyl]benzoic acid IUPAC Name: 2,3,4,5-tetradeuterio-6-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid Traditional Name: 2,3,4,5-tetradeuterio-6-(2-ethyl-5-hydroxy-hexoxy)carbonyl-benzoic acid Formula: C16H22O5 MolecularWeight: 298.367527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCC(CC)CCC(C)O)[2H])[2H]

InChI

InChI=1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)/i4D,5D,6D,7D