(7-chloranyl-1,3-benzodioxol-5-yl)methyl adamantane-1-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl adamantane-1-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H21ClO4 MolecularWeight: 348.82064

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C19H21ClO4/c20-15-4-14(5-16-17(15)24-10-23-16)9-22-18(21)19-6-11-1-12(7-19)3-13(2-11)8-19/h4-5,11-13H,1-3,6-10H2