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

Systemtic Name: 7-[[4-[[4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[4-[4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]phenyl]azophenyl]azonaphthalene-1,3,5-trisulfonic acid CAS Name: 7-[4-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azophenyl]azonaphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[4-[4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]phenyl]azophenyl]azonaphthalene-1,3,5-trisulfonic acid Formula: C26H16ClF2N7O9S3 MolecularWeight: 740.091546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=CC=C(C=C3)N=NC4=CC(=C5C=C(C=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=CC=C(C=C3)N=NC4=CC(=C5C=C(C=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H16ClF2N7O9S3/c27-23-24(28)31-26(29)32-25(23)30-13-1-3-14(4-2-13)33-34-15-5-7-16(8-6-15)35-36-17-9-19-20(21(10-17)47(40,41)42)11-18(46(37,38)39)12-22(19)48(43,44)45/h1-12H,(H,30,31,32)(H,37,38,39)(H,40,41,42)(H,43,44,45)