1,7-bis[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl]-5-methyl-5-oxidanyl-heptan-3-one

Systemtic Name: 1,7-bis[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl]-5-methyl-5-oxidanyl-heptan-3-one Openeye Name: 1,7-bis[(3,5-dichloro-4-hydroxy-phenyl)sulfanyl]-5-hydroxy-5-methyl-heptan-3-one CAS Name: 1,7-bis[(3,5-dichloro-4-hydroxyphenyl)thio]-5-hydroxy-5-methyl-3-heptanone IUPAC Name: 1,7-bis[(3,5-dichloro-4-hydroxyphenyl)sulfanyl]-5-hydroxy-5-methylheptan-3-one Traditional Name: 1,7-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(CCSC1=CC(=C(C(=C1)Cl)O)Cl)(CC(=O)CCSC2=CC(=C(C(=C2)Cl)O)Cl)O

Isomeric SMILES

CC(CCSC1=CC(=C(C(=C1)Cl)O)Cl)(CC(=O)CCSC2=CC(=C(C(=C2)Cl)O)Cl)O

InChI

InChI=1S/C20H20Cl4O4S2/c1-20(28,3-5-30-13-8-16(23)19(27)17(24)9-13)10-11(25)2-4-29-12-6-14(21)18(26)15(22)7-12/h6-9,26-28H,2-5,10H2,1H3