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(3-bromophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

(3-bromophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name:(3-bromophenyl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate
Openeye Name:(3-bromophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
CAS Name:(5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (3-bromophenyl)methyl ester
IUPAC Name:(3-bromophenyl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
Traditional Name:(5S,7R)-3-hydroxyadamantane-1-carboxylic acid (3-bromobenzyl) ester
Formula: C18H21BrO3
MolecularWeight: 365.26154
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC(=CC=C4)Br


Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CC(=CC=C4)Br


InChI

InChI=1S/C18H21BrO3/c19-15-3-1-2-12(5-15)10-22-16(20)17-6-13-4-14(7-17)9-18(21,8-13)11-17/h1-3,5,13-14,21H,4,6-11H2/t13-,14+,17?,18?


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