3-[(5S,7S)-3-bromanyl-1-adamantyl]propanoic acid

Systemtic Name: 3-[(5S,7S)-3-bromanyl-1-adamantyl]propanoic acid Openeye Name: 3-[(5S,7S)-3-bromo-1-adamantyl]propanoic acid CAS Name: 3-[(5S,7S)-3-bromo-1-adamantyl]propanoic acid IUPAC Name: 3-[(5S,7S)-3-bromo-1-adamantyl]propanoic acid Traditional Name: 3-[(5S,7S)-3-bromo-1-adamantyl]propionic acid Formula: C13H19BrO2 MolecularWeight: 287.19276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrO2/c14-13-6-9-3-10(7-13)5-12(4-9,8-13)2-1-11(15)16/h9-10H,1-8H2,(H,15,16)/t9-,10-,12?,13?/m0/s1