6-(2-hydroxyethyloxymethyl)-4-(2-phenylethynyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-4-(2-phenylethynyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-4-(2-phenylethynyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-4-(2-phenylethynyl)-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-4-(2-phenylethynyl)-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-4-(2-phenylethynyl)-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C23H20O4S MolecularWeight: 392.4675

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(=C(C1=O)C#CC2=CC=CC=C2)SC3=CC=CC=C3)COCCO

Isomeric SMILES

C1C(=O)C(C(=C(C1=O)C#CC2=CC=CC=C2)SC3=CC=CC=C3)COCCO

InChI

InChI=1S/C23H20O4S/c24-13-14-27-16-20-22(26)15-21(25)19(12-11-17-7-3-1-4-8-17)23(20)28-18-9-5-2-6-10-18/h1-10,20,24H,13-16H2