2-methoxy-5-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-methoxy-5-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-methoxy-5-phenylsulfanyl-1,4-benzoquinone CAS Name: 2-methoxy-5-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-methoxy-5-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-methoxy-5-(phenylthio)-p-benzoquinone Formula: C13H10O3S MolecularWeight: 246.2817

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=CC1=O)SC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=O)C(=CC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C13H10O3S/c1-16-12-7-11(15)13(8-10(12)14)17-9-5-3-2-4-6-9/h2-8H,1H3