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

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-4-iodanyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-4-iodo-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-4-iodo-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-4-iodo-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-4-iodo-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C15H15IO4S MolecularWeight: 418.24667

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(=C(C1=O)I)SC2=CC=CC=C2)COCCO

Isomeric SMILES

C1C(=O)C(C(=C(C1=O)I)SC2=CC=CC=C2)COCCO

InChI

InChI=1S/C15H15IO4S/c16-14-13(19)8-12(18)11(9-20-7-6-17)15(14)21-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2