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

Systemtic Name: 2-chloranyl-5,6-dimethoxy-3-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-chloro-5,6-dimethoxy-3-(3-phenylpropylsulfanyl)-1,4-benzoquinone CAS Name: 2-chloro-5,6-dimethoxy-3-(3-phenylpropylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-chloro-5,6-dimethoxy-3-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-chloro-5,6-dimethoxy-3-(3-phenylpropylthio)-p-benzoquinone Formula: C17H17ClO4S MolecularWeight: 352.83248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=C(C1=O)SCCCC2=CC=CC=C2)Cl)OC

Isomeric SMILES

COC1=C(C(=O)C(=C(C1=O)SCCCC2=CC=CC=C2)Cl)OC

InChI

InChI=1S/C17H17ClO4S/c1-21-15-13(19)12(18)17(14(20)16(15)22-2)23-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3