2-[(2-chloranyl-6-naphthalen-2-yloxy-pyrimidin-4-yl)amino]-6-(2-sulfophenyl)benzenesulfonic acid

Systemtic Name: 2-[(2-chloranyl-6-naphthalen-2-yloxy-pyrimidin-4-yl)amino]-6-(2-sulfophenyl)benzenesulfonic acid Openeye Name: 2-[[2-chloro-6-(2-naphthyloxy)pyrimidin-4-yl]amino]-6-(2-sulfophenyl)benzenesulfonic acid CAS Name: 2-[[2-chloro-6-(2-naphthalenyloxy)-4-pyrimidinyl]amino]-6-(2-sulfophenyl)benzenesulfonic acid IUPAC Name: 2-[(2-chloro-6-naphthalen-2-yloxypyrimidin-4-yl)amino]-6-(2-sulfophenyl)benzenesulfonic acid Traditional Name: 2-[[2-chloro-6-(2-naphthoxy)pyrimidin-4-yl]amino]-6-(2-sulfophenyl)besylic acid Formula: C26H18ClN3O7S2 MolecularWeight: 584.02002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OC3=NC(=NC(=C3)NC4=CC=CC(=C4S(=O)(=O)O)C5=CC=CC=C5S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC3=NC(=NC(=C3)NC4=CC=CC(=C4S(=O)(=O)O)C5=CC=CC=C5S(=O)(=O)O)Cl

InChI

InChI=1S/C26H18ClN3O7S2/c27-26-29-23(15-24(30-26)37-18-13-12-16-6-1-2-7-17(16)14-18)28-21-10-5-9-20(25(21)39(34,35)36)19-8-3-4-11-22(19)38(31,32)33/h1-15H,(H,28,29,30)(H,31,32,33)(H,34,35,36)