2-[(3,5-dimethyl-1-adamantyl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3,5-dimethyl-1-adamantyl)sulfanyl]ethanoic acid Openeye Name: 2-[(3,5-dimethyl-1-adamantyl)sulfanyl]acetic acid CAS Name: 2-[(3,5-dimethyl-1-adamantyl)thio]acetic acid IUPAC Name: 2-[(3,5-dimethyl-1-adamantyl)sulfanyl]acetic acid Traditional Name: 2-[(3,5-dimethyl-1-adamantyl)thio]acetic acid Formula: C14H22O2S MolecularWeight: 254.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)SCC(=O)O)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)SCC(=O)O)C

InChI

InChI=1S/C14H22O2S/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)17-6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)