(7-chloranyl-1,3-benzodioxol-5-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H20Cl2O4 MolecularWeight: 383.2657

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C19H20Cl2O4/c20-14-2-11(3-15-16(14)25-10-24-15)8-23-17(22)18-4-12-1-13(5-18)7-19(21,6-12)9-18/h2-3,12-13H,1,4-10H2/t12-,13+,18?,19?