3-[2-(1-oxidanylcyclohexyl)ethynyl]xanthen-9-one

Systemtic Name: 3-[2-(1-oxidanylcyclohexyl)ethynyl]xanthen-9-one Openeye Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]xanthen-9-one CAS Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]-9-xanthenone IUPAC Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]xanthen-9-one Traditional Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]xanthone Formula: C21H18O3 MolecularWeight: 318.36582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)O

InChI

InChI=1S/C21H18O3/c22-20-16-6-2-3-7-18(16)24-19-14-15(8-9-17(19)20)10-13-21(23)11-4-1-5-12-21/h2-3,6-9,14,23H,1,4-5,11-12H2