2-chloranyl-5,6-dimethoxy-3-(3-methylbutylsulfanyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-chloranyl-5,6-dimethoxy-3-(3-methylbutylsulfanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-chloro-3-isopentylsulfanyl-5,6-dimethoxy-1,4-benzoquinone CAS Name: 2-chloro-5,6-dimethoxy-3-(3-methylbutylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-chloro-5,6-dimethoxy-3-(3-methylbutylsulfanyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-chloro-3-(isoamylthio)-5,6-dimethoxy-p-benzoquinone Formula: C13H17ClO4S MolecularWeight: 304.78968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl

Isomeric SMILES

CC(C)CCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl

InChI

InChI=1S/C13H17ClO4S/c1-7(2)5-6-19-13-8(14)9(15)11(17-3)12(18-4)10(13)16/h7H,5-6H2,1-4H3