3-[bis(methylsulfanyl)methylidene]-6-methyl-6-(phenylmethyl)oxane-2,4-dione

Systemtic Name: 3-[bis(methylsulfanyl)methylidene]-6-methyl-6-(phenylmethyl)oxane-2,4-dione Openeye Name: 6-benzyl-3-[bis(methylsulfanyl)methylene]-6-methyl-tetrahydropyran-2,4-dione CAS Name: 3-[bis(methylthio)methylidene]-6-methyl-6-(phenylmethyl)oxane-2,4-dione IUPAC Name: 6-benzyl-3-[bis(methylsulfanyl)methylidene]-6-methyloxane-2,4-dione Traditional Name: 6-benzyl-3-[bis(methylthio)methylene]-6-methyl-tetrahydropyran-2,4-quinone Formula: C16H18O3S2 MolecularWeight: 322.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(SC)SC)C(=O)O1)CC2=CC=CC=C2

Isomeric SMILES

CC1(CC(=O)C(=C(SC)SC)C(=O)O1)CC2=CC=CC=C2

InChI

InChI=1S/C16H18O3S2/c1-16(9-11-7-5-4-6-8-11)10-12(17)13(14(18)19-16)15(20-2)21-3/h4-8H,9-10H2,1-3H3