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3-butoxycarbonyl-5-(trifluoromethyl)benzenesulfonic acid

3-butoxycarbonyl-5-(trifluoromethyl)benzenesulfonic acid

Systemtic Name:3-butoxycarbonyl-5-(trifluoromethyl)benzenesulfonic acid
Openeye Name:3-butoxycarbonyl-5-(trifluoromethyl)benzenesulfonic acid
CAS Name:3-[butoxy(oxo)methyl]-5-(trifluoromethyl)benzenesulfonic acid
IUPAC Name:3-butoxycarbonyl-5-(trifluoromethyl)benzenesulfonic acid
Traditional Name:3-butoxycarbonyl-5-(trifluoromethyl)besylic acid
Formula: C12H13F3O5S
MolecularWeight: 326.28883
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H13F3O5S/c1-2-3-4-20-11(16)8-5-9(12(13,14)15)7-10(6-8)21(17,18)19/h5-7H,2-4H2,1H3,(H,17,18,19)


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