1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-5-methyl-5-oxidanyl-heptan-3-one

Systemtic Name: 1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-5-methyl-5-oxidanyl-heptan-3-one Openeye Name: 1-(3,5-dichloro-4-hydroxy-phenyl)sulfanyl-5-hydroxy-5-methyl-heptan-3-one CAS Name: 1-[(3,5-dichloro-4-hydroxyphenyl)thio]-5-hydroxy-5-methyl-3-heptanone IUPAC Name: 1-(3,5-dichloro-4-hydroxyphenyl)sulfanyl-5-hydroxy-5-methylheptan-3-one Traditional Name: 1-[(3,5-dichloro-4-hydroxy-phenyl)thio]-5-hydroxy-5-methyl-heptan-3-one Formula: C14H18Cl2O3S MolecularWeight: 337.26192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)CCSC1=CC(=C(C(=C1)Cl)O)Cl)O

Isomeric SMILES

CCC(C)(CC(=O)CCSC1=CC(=C(C(=C1)Cl)O)Cl)O

InChI

InChI=1S/C14H18Cl2O3S/c1-3-14(2,19)8-9(17)4-5-20-10-6-11(15)13(18)12(16)7-10/h6-7,18-19H,3-5,8H2,1-2H3