1,3-benzodioxol-5-yl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid 1,3-benzodioxol-5-yl ester Formula: C19H21BrO4 MolecularWeight: 393.27164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrO4/c20-19-7-12-3-13(8-19)6-18(5-12,10-19)9-17(21)24-14-1-2-15-16(4-14)23-11-22-15/h1-2,4,12-13H,3,5-11H2