(2S)-2-(1-adamantylsulfanyl)propanoate

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)propanoate Openeye Name: (2S)-2-(1-adamantylsulfanyl)propanoate CAS Name: (2S)-2-(1-adamantylthio)propanoate IUPAC Name: (2S)-2-(1-adamantylsulfanyl)propanoate Traditional Name: (2S)-2-(1-adamantylthio)propionate Formula: C13H19O2S- MolecularWeight: 239.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C13H20O2S/c1-8(12(14)15)16-13-5-9-2-10(6-13)4-11(3-9)7-13/h8-11H,2-7H2,1H3,(H,14,15)/p-1/t8-,9?,10?,11?,13?/m0/s1