[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl] hydrogen sulfite

Systemtic Name: [5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl] hydrogen sulfite Openeye Name: [5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl] hydrogen sulfite CAS Name: sulfurous acid [5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl] ester IUPAC Name: [5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl] hydrogen sulfite Traditional Name: sulfurous acid [5,7-dipropyl-3-(trifluoromethyl)indoxazen-6-yl] ester Formula: C14H16F3NO4S MolecularWeight: 351.34135

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OS(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OS(=O)O

InChI

InChI=1S/C14H16F3NO4S/c1-3-5-8-7-10-12(21-18-13(10)14(15,16)17)9(6-4-2)11(8)22-23(19)20/h7H,3-6H2,1-2H3,(H,19,20)