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

Systemtic Name: 7-[[4-[[2,6-bis(chloranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]azonaphthalene-1,3,5-trisulfonic acid CAS Name: 7-[4-[(2,6-dichloro-4-pyrimidinyl)amino]phenyl]azonaphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]azonaphthalene-1,3,5-trisulfonic acid Formula: C20H13Cl2N5O9S3 MolecularWeight: 634.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC(=NC(=N2)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=CC(=NC(=N2)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/C20H13Cl2N5O9S3/c21-18-9-19(25-20(22)24-18)23-10-1-3-11(4-2-10)26-27-12-5-14-15(16(6-12)38(31,32)33)7-13(37(28,29)30)8-17(14)39(34,35)36/h1-9H,(H,23,24,25)(H,28,29,30)(H,31,32,33)(H,34,35,36)