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

Systemtic Name: 2,3-dimethoxy-5-methyl-6-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-(3-phenylpropylsulfanyl)-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-(3-phenylpropylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3-dimethoxy-5-methyl-6-(3-phenylpropylthio)-p-benzoquinone Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)SCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)SCCCC2=CC=CC=C2

InChI

InChI=1S/C18H20O4S/c1-12-14(19)16(21-2)17(22-3)15(20)18(12)23-11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3