3,3,3-tris(methylsulfanyl)prop-1-en-2-yl benzoate

Systemtic Name: 3,3,3-tris(methylsulfanyl)prop-1-en-2-yl benzoate Openeye Name: 1-[tris(methylsulfanyl)methyl]vinyl benzoate CAS Name: benzoic acid 3,3,3-tris(methylthio)prop-1-en-2-yl ester IUPAC Name: 3,3,3-tris(methylsulfanyl)prop-1-en-2-yl benzoate Traditional Name: benzoic acid 1-[tris(methylthio)methyl]vinyl ester Formula: C13H16O2S3 MolecularWeight: 300.45994

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(=C)OC(=O)C1=CC=CC=C1)(SC)SC

Isomeric SMILES

CSC(C(=C)OC(=O)C1=CC=CC=C1)(SC)SC

InChI

InChI=1S/C13H16O2S3/c1-10(13(16-2,17-3)18-4)15-12(14)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3