7-[[4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 7-[[4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azonaphthalene-1,3,5-trisulfonic acid CAS Name: 7-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azonaphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azonaphthalene-1,3,5-trisulfonic acid Formula: C20H12Cl3N5O9S3 MolecularWeight: 668.89138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)N=NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)N=NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H12Cl3N5O9S3/c21-17-18(22)25-20(23)26-19(17)24-9-1-3-10(4-2-9)27-28-11-5-13-14(15(6-11)39(32,33)34)7-12(38(29,30)31)8-16(13)40(35,36)37/h1-8H,(H,24,25,26)(H,29,30,31)(H,32,33,34)(H,35,36,37)