bis[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] benzene-1,3-disulfonate

Systemtic Name: bis[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] benzene-1,3-disulfonate Openeye Name: bis[6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] benzene-1,3-disulfonate CAS Name: benzene-1,3-disulfonic acid bis[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: bis[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] benzene-1,3-disulfonate Traditional Name: benzene-1,3-disulfonic acid bis[6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C34H28Cl2N4O8S2 MolecularWeight: 755.64412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)OC4=CC(=NN=C4OC5=C(C=CC=C5C)C6CC6)Cl)Cl)C7CC7

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)OC4=CC(=NN=C4OC5=C(C=CC=C5C)C6CC6)Cl)Cl)C7CC7

InChI

InChI=1S/C34H28Cl2N4O8S2/c1-19-6-3-10-25(21-12-13-21)31(19)45-33-27(17-29(35)37-39-33)47-49(41,42)23-8-5-9-24(16-23)50(43,44)48-28-18-30(36)38-40-34(28)46-32-20(2)7-4-11-26(32)22-14-15-22/h3-11,16-18,21-22H,12-15H2,1-2H3