(6-bromanyl-1,3-benzodioxol-5-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C19H21BrO5 MolecularWeight: 409.27104

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C19H21BrO5/c20-14-3-16-15(24-10-25-16)2-13(14)8-23-17(21)18-4-11-1-12(5-18)7-19(22,6-11)9-18/h2-3,11-12,22H,1,4-10H2/t11-,12+,18?,19?