2-(hydroxymethyl)-5,6-dimethoxy-3-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(hydroxymethyl)-5,6-dimethoxy-3-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(hydroxymethyl)-5,6-dimethoxy-3-phenylsulfanyl-1,4-benzoquinone CAS Name: 2-(hydroxymethyl)-5,6-dimethoxy-3-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(hydroxymethyl)-5,6-dimethoxy-3-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3-dimethoxy-5-methylol-6-(phenylthio)-p-benzoquinone Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=C(C1=O)CO)SC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C(=O)C(=C(C1=O)CO)SC2=CC=CC=C2)OC

InChI

InChI=1S/C15H14O5S/c1-19-13-11(17)10(8-16)15(12(18)14(13)20-2)21-9-6-4-3-5-7-9/h3-7,16H,8H2,1-2H3