1-adamantyl 4-chloranyl-2-ethyl-2,4-dimethyl-pentanoate

Systemtic Name: 1-adamantyl 4-chloranyl-2-ethyl-2,4-dimethyl-pentanoate Openeye Name: 1-adamantyl 4-chloro-2-ethyl-2,4-dimethyl-pentanoate CAS Name: 4-chloro-2-ethyl-2,4-dimethylpentanoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-chloro-2-ethyl-2,4-dimethylpentanoate Traditional Name: 4-chloro-2-ethyl-2,4-dimethyl-valeric acid 1-adamantyl ester Formula: C19H31ClO2 MolecularWeight: 326.90124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)Cl)C(=O)OC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(C)(CC(C)(C)Cl)C(=O)OC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C19H31ClO2/c1-5-18(4,12-17(2,3)20)16(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15H,5-12H2,1-4H3