5-[(4-chlorophenyl)methylsulfanyl]-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanyl]-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-[(4-chlorophenyl)methylsulfanyl]-2,3-dimethoxy-1,4-benzoquinone CAS Name: 5-[(4-chlorophenyl)methylthio]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-[(4-chlorophenyl)methylsulfanyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 5-[(4-chlorobenzyl)thio]-2,3-dimethoxy-p-benzoquinone Formula: C15H13ClO4S MolecularWeight: 324.77932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=CC1=O)SCC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=C(C(=O)C(=CC1=O)SCC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C15H13ClO4S/c1-19-14-11(17)7-12(13(18)15(14)20-2)21-8-9-3-5-10(16)6-4-9/h3-7H,8H2,1-2H3