2-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-5-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-5-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-[(4Z)-4-[(4-dimethylaminophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-5-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-5-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-5-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-[(4Z)-4-[4-(dimethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]-5-(trioxidanylthio)besylic acid Formula: C19H19N3O7S2 MolecularWeight: 465.50006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)SOOO)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)SOOO)S(=O)(=O)O

InChI

InChI=1S/C19H19N3O7S2/c1-12-16(10-13-4-6-14(7-5-13)21(2)3)19(23)22(20-12)17-9-8-15(30-29-28-24)11-18(17)31(25,26)27/h4-11,24H,1-3H3,(H,25,26,27)/b16-10-