1-(3-chloranyl-5-methyl-2-oxidanyl-phenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

Systemtic Name: 1-(3-chloranyl-5-methyl-2-oxidanyl-phenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one Openeye Name: 1-(3-chloro-2-hydroxy-5-methyl-phenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one CAS Name: 1-(3-chloro-2-hydroxy-5-methylphenyl)-3,3-bis(methylthio)-2-propen-1-one IUPAC Name: 1-(3-chloro-2-hydroxy-5-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one Traditional Name: 1-(3-chloro-2-hydroxy-5-methyl-phenyl)-3,3-bis(methylthio)prop-2-en-1-one Formula: C12H13ClO2S2 MolecularWeight: 288.81342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C=C(SC)SC)O)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C=C(SC)SC)O)Cl

InChI

InChI=1S/C12H13ClO2S2/c1-7-4-8(12(15)9(13)5-7)10(14)6-11(16-2)17-3/h4-6,15H,1-3H3