2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-4-methyl-5-oxidanyl-heptan-3-one

Systemtic Name: 2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-4-methyl-5-oxidanyl-heptan-3-one Openeye Name: 2-(3,5-dichloro-4-hydroxy-phenyl)sulfanyl-5-hydroxy-4-methyl-heptan-3-one CAS Name: 2-[(3,5-dichloro-4-hydroxyphenyl)thio]-5-hydroxy-4-methyl-3-heptanone IUPAC Name: 2-(3,5-dichloro-4-hydroxyphenyl)sulfanyl-5-hydroxy-4-methylheptan-3-one Traditional Name: 2-[(3,5-dichloro-4-hydroxy-phenyl)thio]-5-hydroxy-4-methyl-heptan-3-one Formula: C14H18Cl2O3S MolecularWeight: 337.26192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)C(C)SC1=CC(=C(C(=C1)Cl)O)Cl)O

Isomeric SMILES

CCC(C(C)C(=O)C(C)SC1=CC(=C(C(=C1)Cl)O)Cl)O

InChI

InChI=1S/C14H18Cl2O3S/c1-4-12(17)7(2)13(18)8(3)20-9-5-10(15)14(19)11(16)6-9/h5-8,12,17,19H,4H2,1-3H3