2-[2-(1-oxidanylcyclohexyl)ethynyl]thioxanthen-9-one

Systemtic Name: 2-[2-(1-oxidanylcyclohexyl)ethynyl]thioxanthen-9-one Openeye Name: 2-[2-(1-hydroxycyclohexyl)ethynyl]thioxanthen-9-one CAS Name: 2-[2-(1-hydroxycyclohexyl)ethynyl]-9-thioxanthenone IUPAC Name: 2-[2-(1-hydroxycyclohexyl)ethynyl]thioxanthen-9-one Traditional Name: 2-[2-(1-hydroxycyclohexyl)ethynyl]thioxanthen-9-one Formula: C21H18O2S MolecularWeight: 334.43142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC3=C(C=C2)SC4=CC=CC=C4C3=O)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC3=C(C=C2)SC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C21H18O2S/c22-20-16-6-2-3-7-18(16)24-19-9-8-15(14-17(19)20)10-13-21(23)11-4-1-5-12-21/h2-3,6-9,14,23H,1,4-5,11-12H2