6-[2-(3,5-dimethoxyphenyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one

Systemtic Name: 6-[2-(3,5-dimethoxyphenyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one Openeye Name: 6-[2-(3,5-dimethoxyphenyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one CAS Name: 6-[2-(3,5-dimethoxyphenyl)ethynyl]-2,3-dimethoxy-9-thioxanthenone IUPAC Name: 6-[2-(3,5-dimethoxyphenyl)ethynyl]-2,3-dimethoxythioxanthen-9-one Traditional Name: 6-[2-(3,5-dimethoxyphenyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one Formula: C25H20O5S MolecularWeight: 432.4883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C#CC2=CC3=C(C=C2)C(=O)C4=CC(=C(C=C4S3)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C#CC2=CC3=C(C=C2)C(=O)C4=CC(=C(C=C4S3)OC)OC)OC

InChI

InChI=1S/C25H20O5S/c1-27-17-9-16(10-18(12-17)28-2)6-5-15-7-8-19-23(11-15)31-24-14-22(30-4)21(29-3)13-20(24)25(19)26/h7-14H,1-4H3