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1,3-benzodioxol-5-yl (5S,7R)-3-bromanyladamantane-1-carboxylate

1,3-benzodioxol-5-yl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name:1,3-benzodioxol-5-yl (5S,7R)-3-bromanyladamantane-1-carboxylate
Openeye Name:1,3-benzodioxol-5-yl (5S,7R)-3-bromoadamantane-1-carboxylate
CAS Name:(5S,7R)-3-bromo-1-adamantanecarboxylic acid 1,3-benzodioxol-5-yl ester
IUPAC Name:1,3-benzodioxol-5-yl (5S,7R)-3-bromoadamantane-1-carboxylate
Traditional Name:(5S,7R)-3-bromoadamantane-1-carboxylic acid 1,3-benzodioxol-5-yl ester
Formula: C18H19BrO4
MolecularWeight: 379.24506
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OC4=CC5=C(C=C4)OCO5


Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OC4=CC5=C(C=C4)OCO5


InChI

InChI=1S/C18H19BrO4/c19-18-7-11-3-12(8-18)6-17(5-11,9-18)16(20)23-13-1-2-14-15(4-13)22-10-21-14/h1-2,4,11-12H,3,5-10H2/t11-,12+,17?,18?


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