2-(1-adamantylsulfanyl)-1-[3,4-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-[3,4-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-(1-adamantylthio)-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-(1-adamantylthio)-1-(3,4-dihydroxyphenyl)ethanone Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(=O)C4=CC(=C(C=C4)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC(=O)C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C18H22O3S/c19-15-2-1-14(6-16(15)20)17(21)10-22-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,19-20H,3-5,7-10H2