2-[[[2-chloranyl-5-(trifluoromethyl)phenyl]diazenyl]-ethyl-amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[[2-chloranyl-5-(trifluoromethyl)phenyl]diazenyl]-ethyl-amino]-5-sulfo-benzoic acid Openeye Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]azo-ethyl-amino]-5-sulfo-benzoic acid CAS Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]azo-ethylamino]-5-sulfobenzoic acid IUPAC Name: 2-[[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-ethylamino]-5-sulfobenzoic acid Traditional Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]azo-ethyl-amino]-5-sulfo-benzoic acid Formula: C16H13ClF3N3O5S MolecularWeight: 451.80473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)N=NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CCN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)N=NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C16H13ClF3N3O5S/c1-2-23(14-6-4-10(29(26,27)28)8-11(14)15(24)25)22-21-13-7-9(16(18,19)20)3-5-12(13)17/h3-8H,2H2,1H3,(H,24,25)(H,26,27,28)