5-(dipropylamino)-2-[[5-(trifluoromethyl)pyridin-2-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 5-(dipropylamino)-2-[[5-(trifluoromethyl)pyridin-2-yl]diazenyl]benzenesulfonic acid Openeye Name: 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridyl]azo]benzenesulfonic acid CAS Name: 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]azo]benzenesulfonic acid IUPAC Name: 5-(dipropylamino)-2-[[5-(trifluoromethyl)pyridin-2-yl]diazenyl]benzenesulfonic acid Traditional Name: 5-(dipropylamino)-2-[[5-(trifluoromethyl)-2-pyridyl]azo]besylic acid Formula: C18H21F3N4O3S MolecularWeight: 430.44455

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

CCCN(CCC)C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C18H21F3N4O3S/c1-3-9-25(10-4-2)14-6-7-15(16(11-14)29(26,27)28)23-24-17-8-5-13(12-22-17)18(19,20)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,26,27,28)