1-adamantylmethyl 2-phenylsulfanylethanoate

Systemtic Name: 1-adamantylmethyl 2-phenylsulfanylethanoate Openeye Name: 1-adamantylmethyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid 1-adamantylmethyl ester Formula: C19H24O2S MolecularWeight: 316.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C19H24O2S/c20-18(12-22-17-4-2-1-3-5-17)21-13-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-16H,6-13H2