[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-phenyl-2-phenylsulfanyl-acetate CAS Name: 2-phenyl-2-(phenylthio)acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-phenyl-2-phenylsulfanylacetate Traditional Name: 2-phenyl-2-(phenylthio)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H28O3S MolecularWeight: 420.56372

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H28O3S/c27-23(26-14-18-11-19(15-26)13-20(12-18)16-26)17-29-25(28)24(21-7-3-1-4-8-21)30-22-9-5-2-6-10-22/h1-10,18-20,24H,11-17H2