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2-[1,3-bis(oxidanyl)butyl]-5-(trifluoromethyl)thiobenzaldehyde

2-[1,3-bis(oxidanyl)butyl]-5-(trifluoromethyl)thiobenzaldehyde

Systemtic Name:2-[1,3-bis(oxidanyl)butyl]-5-(trifluoromethyl)thiobenzaldehyde
Openeye Name:2-(1,3-dihydroxybutyl)-5-(trifluoromethyl)thiobenzaldehyde
CAS Name:2-(1,3-dihydroxybutyl)-5-(trifluoromethyl)thiobenzaldehyde
IUPAC Name:2-(1,3-dihydroxybutyl)-5-(trifluoromethyl)thiobenzaldehyde
Traditional Name:2-(1,3-dihydroxybutyl)-5-(trifluoromethyl)thiobenzaldehyde
Formula: C12H13F3O2S
MolecularWeight: 278.29063
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=C(C=C(C=C1)C(F)(F)F)C=S)O)O


Isomeric SMILES

CC(CC(C1=C(C=C(C=C1)C(F)(F)F)C=S)O)O


InChI

InChI=1S/C12H13F3O2S/c1-7(16)4-11(17)10-3-2-9(12(13,14)15)5-8(10)6-18/h2-3,5-7,11,16-17H,4H2,1H3


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