tert-butyl 2-(2-sulfanyl-2-adamantyl)ethanoate

Systemtic Name: tert-butyl 2-(2-sulfanyl-2-adamantyl)ethanoate Openeye Name: tert-butyl 2-(2-sulfanyl-2-adamantyl)acetate CAS Name: 2-(2-mercapto-2-adamantyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-sulfanyl-2-adamantyl)acetate Traditional Name: 2-(2-mercapto-2-adamantyl)acetic acid tert-butyl ester Formula: C16H26O2S MolecularWeight: 282.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(C2CC3CC(C2)CC1C3)S

Isomeric SMILES

CC(C)(C)OC(=O)CC1(C2CC3CC(C2)CC1C3)S

InChI

InChI=1S/C16H26O2S/c1-15(2,3)18-14(17)9-16(19)12-5-10-4-11(7-12)8-13(16)6-10/h10-13,19H,4-9H2,1-3H3