1,3-benzodioxol-5-yl 3-chloranyladamantane-1-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-chloranyladamantane-1-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C18H19ClO4 MolecularWeight: 334.79406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClO4/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