(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl adamantane-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl adamantane-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H23ClO4 MolecularWeight: 362.84722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC4=C5C(=CC(=C4)Cl)COCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC4=C5C(=CC(=C4)Cl)COCO5

InChI

InChI=1S/C20H23ClO4/c21-17-6-15-8-23-10-25-19(15)16(7-17)9-24-20(22)18-13-2-11-1-12(4-13)5-14(18)3-11/h6-7,11-14,18H,1-5,8-10H2