(3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl) adamantane-1-carboxylate

Systemtic Name: (3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl) adamantane-1-carboxylate Openeye Name: (3-oxo-1$l^{3},2-benziodoxol-1-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (3-oxo-1$l^{3},2-benziodoxol-1-yl) ester IUPAC Name: (3-oxo-1$l^{3},2-benziodoxol-1-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (3-keto-1$l^{3},2-benziodoxol-1-yl) ester Formula: C18H19IO4 MolecularWeight: 426.24553

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OI4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OI4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C18H19IO4/c20-16-14-3-1-2-4-15(14)19(22-16)23-17(21)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2