1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-6-methyl-6-oxidanyl-nonan-4-one

Systemtic Name: 1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-6-methyl-6-oxidanyl-nonan-4-one Openeye Name: 1-(3,5-dichloro-4-hydroxy-phenyl)sulfanyl-6-hydroxy-6-methyl-nonan-4-one CAS Name: 1-[(3,5-dichloro-4-hydroxyphenyl)thio]-6-hydroxy-6-methyl-4-nonanone IUPAC Name: 1-(3,5-dichloro-4-hydroxyphenyl)sulfanyl-6-hydroxy-6-methylnonan-4-one Traditional Name: 1-[(3,5-dichloro-4-hydroxy-phenyl)thio]-6-hydroxy-6-methyl-nonan-4-one Formula: C16H22Cl2O3S MolecularWeight: 365.31508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CC(=O)CCCSC1=CC(=C(C(=C1)Cl)O)Cl)O

Isomeric SMILES

CCCC(C)(CC(=O)CCCSC1=CC(=C(C(=C1)Cl)O)Cl)O

InChI

InChI=1S/C16H22Cl2O3S/c1-3-6-16(2,21)10-11(19)5-4-7-22-12-8-13(17)15(20)14(18)9-12/h8-9,20-21H,3-7,10H2,1-2H3