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

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-4-(phenylmethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 4-benzyl-6-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-4-(phenylmethyl)-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 4-benzyl-6-(2-hydroxyethoxymethyl)-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 4-benzyl-6-(2-hydroxyethoxymethyl)-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O4S/c23-11-12-26-15-19-21(25)14-20(24)18(13-16-7-3-1-4-8-16)22(19)27-17-9-5-2-6-10-17/h1-10,19,23H,11-15H2