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

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-4-(phenylcarbonyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 4-benzoyl-6-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 4-benzoyl-6-(2-hydroxyethoxymethyl)-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 4-benzoyl-6-(2-hydroxyethoxymethyl)-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 4-benzoyl-6-(2-hydroxyethoxymethyl)-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O5S/c23-11-12-27-14-17-18(24)13-19(25)20(21(26)15-7-3-1-4-8-15)22(17)28-16-9-5-2-6-10-16/h1-10,17,23H,11-14H2