3-[(5R,7R)-3-chloranyl-1-adamantyl]propanoate

Systemtic Name: 3-[(5R,7R)-3-chloranyl-1-adamantyl]propanoate Openeye Name: 3-[(5R,7R)-3-chloro-1-adamantyl]propanoate CAS Name: 3-[(5R,7R)-3-chloro-1-adamantyl]propanoate IUPAC Name: 3-[(5R,7R)-3-chloro-1-adamantyl]propanoate Traditional Name: 3-[(5R,7R)-3-chloro-1-adamantyl]propionate Formula: C13H18ClO2- MolecularWeight: 241.73382

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClO2/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)/p-1/t9-,10-,12?,13?/m1/s1