3-methyl-4-phenylsulfanyl-cyclobutane-1,2-dione

Systemtic Name: 3-methyl-4-phenylsulfanyl-cyclobutane-1,2-dione Openeye Name: 3-methyl-4-phenylsulfanyl-cyclobutane-1,2-dione CAS Name: 3-methyl-4-(phenylthio)cyclobutane-1,2-dione IUPAC Name: 3-methyl-4-phenylsulfanylcyclobutane-1,2-dione Traditional Name: 3-methyl-4-(phenylthio)cyclobutane-1,2-quinone Formula: C11H10O2S MolecularWeight: 206.2609

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C1=O)SC2=CC=CC=C2

Isomeric SMILES

CC1C(C(=O)C1=O)SC2=CC=CC=C2

InChI

InChI=1S/C11H10O2S/c1-7-9(12)10(13)11(7)14-8-5-3-2-4-6-8/h2-7,11H,1H3