4-[5-[3-(2-chloranylbut-3-enylsulfanyl)-5-nitro-phenyl]-1-ethenyl-4-oxidanylidene-pyridin-3-yl]-3-oxidanyl-benzoic acid

Systemtic Name: 4-[5-[3-(2-chloranylbut-3-enylsulfanyl)-5-nitro-phenyl]-1-ethenyl-4-oxidanylidene-pyridin-3-yl]-3-oxidanyl-benzoic acid Openeye Name: 4-[5-[3-(2-chlorobut-3-enylsulfanyl)-5-nitro-phenyl]-4-oxo-1-vinyl-3-pyridyl]-3-hydroxy-benzoic acid CAS Name: 4-[5-[3-(2-chlorobut-3-enylthio)-5-nitrophenyl]-1-ethenyl-4-oxo-3-pyridinyl]-3-hydroxybenzoic acid IUPAC Name: 4-[5-[3-(2-chlorobut-3-enylsulfanyl)-5-nitrophenyl]-1-ethenyl-4-oxopyridin-3-yl]-3-hydroxybenzoic acid Traditional Name: 4-[5-[3-(2-chlorobut-3-enylthio)-5-nitro-phenyl]-4-keto-1-vinyl-3-pyridyl]-3-hydroxy-benzoic acid Formula: C24H19ClN2O6S MolecularWeight: 498.93546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(CSC1=CC(=CC(=C1)[N+](=O)[O-])C2=CN(C=C(C2=O)C3=C(C=C(C=C3)C(=O)O)O)C=C)Cl

Isomeric SMILES

C=CC(CSC1=CC(=CC(=C1)[N+](=O)[O-])C2=CN(C=C(C2=O)C3=C(C=C(C=C3)C(=O)O)O)C=C)Cl

InChI

InChI=1S/C24H19ClN2O6S/c1-3-16(25)13-34-18-8-15(7-17(10-18)27(32)33)20-11-26(4-2)12-21(23(20)29)19-6-5-14(24(30)31)9-22(19)28/h3-12,16,28H,1-2,13H2,(H,30,31)