5-cyclohexylsulfanyl-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 5-cyclohexylsulfanyl-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-cyclohexylsulfanyl-2,3-dimethoxy-1,4-benzoquinone CAS Name: 5-(cyclohexylthio)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-cyclohexylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 5-(cyclohexylthio)-2,3-dimethoxy-p-benzoquinone Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=CC1=O)SC2CCCCC2)OC

Isomeric SMILES

COC1=C(C(=O)C(=CC1=O)SC2CCCCC2)OC

InChI

InChI=1S/C14H18O4S/c1-17-13-10(15)8-11(12(16)14(13)18-2)19-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3