2-(3-chloranyl-1-adamantyl)propan-2-yl 2-methylbutanoate

Systemtic Name: 2-(3-chloranyl-1-adamantyl)propan-2-yl 2-methylbutanoate Openeye Name: [1-(3-chloro-1-adamantyl)-1-methyl-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid 2-(3-chloro-1-adamantyl)propan-2-yl ester IUPAC Name: 2-(3-chloro-1-adamantyl)propan-2-yl 2-methylbutanoate Traditional Name: 2-methylbutyric acid [1-(3-chloro-1-adamantyl)-1-methyl-ethyl] ester Formula: C18H29ClO2 MolecularWeight: 312.87466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC(C)(C)C12CC3CC(C1)CC(C3)(C2)Cl

Isomeric SMILES

CCC(C)C(=O)OC(C)(C)C12CC3CC(C1)CC(C3)(C2)Cl

InChI

InChI=1S/C18H29ClO2/c1-5-12(2)15(20)21-16(3,4)17-7-13-6-14(8-17)10-18(19,9-13)11-17/h12-14H,5-11H2,1-4H3