3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(1-adamantyl)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(1-adamantyl)-2-keto-ethyl]thio]propionate Formula: C15H21O3S- MolecularWeight: 281.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSCCC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C15H22O3S/c16-13(9-19-2-1-14(17)18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,1-9H2,(H,17,18)/p-1