1-methoxy-6-[2-(1-oxidanylcyclohexyl)ethynyl]xanthen-9-one

Systemtic Name: 1-methoxy-6-[2-(1-oxidanylcyclohexyl)ethynyl]xanthen-9-one Openeye Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-1-methoxy-xanthen-9-one CAS Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-1-methoxy-9-xanthenone IUPAC Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-1-methoxyxanthen-9-one Traditional Name: 6-[2-(1-hydroxycyclohexyl)ethynyl]-1-methoxy-xanthone Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(O2)C=C(C=C3)C#CC4(CCCCC4)O

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(O2)C=C(C=C3)C#CC4(CCCCC4)O

InChI

InChI=1S/C22H20O4/c1-25-17-6-5-7-18-20(17)21(23)16-9-8-15(14-19(16)26-18)10-13-22(24)11-3-2-4-12-22/h5-9,14,24H,2-4,11-12H2,1H3