(4E)-4-[(2-tert-butyl-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl)hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[(2-tert-butyl-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl)hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[(2-tert-butyl-5-methyl-3-oxo-1H-pyrazol-4-yl)hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[(2-tert-butyl-5-methyl-3-oxo-1H-pyrazol-4-yl)hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[(2-tert-butyl-5-methyl-3-oxo-1H-pyrazol-4-yl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-4-[(1-tert-butyl-5-keto-3-methyl-3-pyrazolin-4-yl)hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(C)(C)C)NN=C2C3=CC=CC=C3C(=CC2=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C(C)(C)C)N/N=C/2\C3=CC=CC=C3C(=CC2=O)S(=O)(=O)O

InChI

InChI=1S/C18H20N4O5S/c1-10-15(17(24)22(21-10)18(2,3)4)19-20-16-12-8-6-5-7-11(12)14(9-13(16)23)28(25,26)27/h5-9,19,21H,1-4H3,(H,25,26,27)/b20-16+