2-(1-adamantylsulfanyl)-1-(1,3-benzodioxol-5-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 2-(1-adamantylthio)-1-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(1,3-benzodioxol-5-yl)ethanone Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H22O3S/c20-16(15-1-2-17-18(6-15)22-11-21-17)10-23-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14H,3-5,7-11H2