2-(phenylmethylsulfanyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(phenylmethylsulfanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-benzylsulfanyl-1,4-benzoquinone CAS Name: 2-(phenylmethylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-benzylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(benzylthio)-p-benzoquinone Formula: C13H10O2S MolecularWeight: 230.2823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=O)C=CC2=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=O)C=CC2=O

InChI

InChI=1S/C13H10O2S/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2