2-(1-adamantylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(1-adamantylthio)-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(3,4-dimethoxyphenyl)ethanone Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C20H26O3S/c1-22-18-4-3-16(8-19(18)23-2)17(21)12-24-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,5-7,9-12H2,1-2H3