(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-adamantyl)ethanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-adamantyl)ethanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H25ClO4 MolecularWeight: 376.8738

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25ClO4/c22-17-6-16(7-18-20(17)25-2-1-24-18)12-26-19(23)11-21-8-13-3-14(9-21)5-15(4-13)10-21/h6-7,13-15H,1-5,8-12H2