2-ethoxycarbonyl-2-[[2-sulfo-5-(trifluoromethyl)phenyl]diazenyl]butanoic acid

Systemtic Name: 2-ethoxycarbonyl-2-[[2-sulfo-5-(trifluoromethyl)phenyl]diazenyl]butanoic acid Openeye Name: 2-ethoxycarbonyl-2-[2-sulfo-5-(trifluoromethyl)phenyl]azo-butanoic acid CAS Name: 2-ethoxycarbonyl-2-[2-sulfo-5-(trifluoromethyl)phenyl]azobutanoic acid IUPAC Name: 2-ethoxycarbonyl-2-[[2-sulfo-5-(trifluoromethyl)phenyl]diazenyl]butanoic acid Traditional Name: 2-carbethoxy-2-[2-sulfo-5-(trifluoromethyl)phenyl]azo-butyric acid Formula: C14H15F3N2O7S MolecularWeight: 412.33831

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(C(=O)OCC)N=NC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

CCC(C(=O)O)(C(=O)OCC)N=NC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C14H15F3N2O7S/c1-3-13(11(20)21,12(22)26-4-2)19-18-9-7-8(14(15,16)17)5-6-10(9)27(23,24)25/h5-7H,3-4H2,1-2H3,(H,20,21)(H,23,24,25)