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

Systemtic Name: 2,3-dimethyl-7-[2-(1-oxidanylcyclohexyl)ethynyl]thioxanthen-9-one Openeye Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-2,3-dimethyl-thioxanthen-9-one CAS Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-2,3-dimethyl-9-thioxanthenone IUPAC Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-2,3-dimethylthioxanthen-9-one Traditional Name: 7-[2-(1-hydroxycyclohexyl)ethynyl]-2,3-dimethyl-thioxanthen-9-one Formula: C23H22O2S MolecularWeight: 362.48458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4(CCCCC4)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4(CCCCC4)O)C

InChI

InChI=1S/C23H22O2S/c1-15-12-18-21(13-16(15)2)26-20-7-6-17(14-19(20)22(18)24)8-11-23(25)9-4-3-5-10-23/h6-7,12-14,25H,3-5,9-10H2,1-2H3