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

Systemtic Name: 2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-(3-phenylpropylsulfanyl)-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-(3-phenylpropylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3-dimethoxy-5-(3-phenylpropylthio)-p-benzoquinone Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=CC1=O)SCCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C(=O)C(=CC1=O)SCCCC2=CC=CC=C2)OC

InChI

InChI=1S/C17H18O4S/c1-20-16-13(18)11-14(15(19)17(16)21-2)22-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3