2,3-dimethoxy-7-[2-(1-oxidanylcyclohexyl)ethynyl]thioxanthen-9-one

Systemtic Name: 2,3-dimethoxy-7-[2-(1-oxidanylcyclohexyl)ethynyl]thioxanthen-9-one Openeye Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one CAS Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-2,3-dimethoxy-9-thioxanthenone IUPAC Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-2,3-dimethoxythioxanthen-9-one Traditional Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4(CCCCC4)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4(CCCCC4)O)OC

InChI

InChI=1S/C23H22O4S/c1-26-18-13-17-21(14-19(18)27-2)28-20-7-6-15(12-16(20)22(17)24)8-11-23(25)9-4-3-5-10-23/h6-7,12-14,25H,3-5,9-10H2,1-2H3