2,6-bis[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl]-5-methyl-5-oxidanyl-heptan-3-one

Systemtic Name: 2,6-bis[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl]-5-methyl-5-oxidanyl-heptan-3-one Openeye Name: 2,6-bis[(3,5-dichloro-4-hydroxy-phenyl)sulfanyl]-5-hydroxy-5-methyl-heptan-3-one CAS Name: 2,6-bis[(3,5-dichloro-4-hydroxyphenyl)thio]-5-hydroxy-5-methyl-3-heptanone IUPAC Name: 2,6-bis[(3,5-dichloro-4-hydroxyphenyl)sulfanyl]-5-hydroxy-5-methylheptan-3-one Traditional Name: 2,6-bis[(3,5-dichloro-4-hydroxy-phenyl)thio]-5-hydroxy-5-methyl-heptan-3-one Formula: C20H20Cl4O4S2 MolecularWeight: 530.3124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC(C)(C(C)SC1=CC(=C(C(=C1)Cl)O)Cl)O)SC2=CC(=C(C(=C2)Cl)O)Cl

Isomeric SMILES

CC(C(=O)CC(C)(C(C)SC1=CC(=C(C(=C1)Cl)O)Cl)O)SC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C20H20Cl4O4S2/c1-9(29-11-4-13(21)18(26)14(22)5-11)17(25)8-20(3,28)10(2)30-12-6-15(23)19(27)16(24)7-12/h4-7,9-10,26-28H,8H2,1-3H3