4-[4-[2-(4-chloranyl-3-fluoranyl-phenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-4-(3-methylbutoxy)butan-2-yl]oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-(4-chloranyl-3-fluoranyl-phenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-4-(3-methylbutoxy)butan-2-yl]oxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[2-(4-chloro-3-fluoro-phenyl)-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]oxy-3-isopentyloxy-1,1-dimethyl-propoxy]-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(4-chloro-3-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]oxy]-2-methyl-4-(3-methylbutoxy)butan-2-yl]oxy-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(4-chloro-3-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]oxy-2-methyl-4-(3-methylbutoxy)butan-2-yl]oxy-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[3-[2-(4-chloro-3-fluoro-phenyl)-3-keto-5-(4-mesylphenyl)pyridazin-4-yl]oxy-3-isoamoxy-1,1-dimethyl-propoxy]-2,3-dihydroxy-4-keto-butyric acid Formula: C31H36ClFN2O11S MolecularWeight: 699.140743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(CC(C)(C)OC(=O)C(C(C(=O)O)O)O)OC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCOC(CC(C)(C)OC(=O)C(C(C(=O)O)O)O)OC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C31H36ClFN2O11S/c1-17(2)12-13-44-24(15-31(3,4)46-30(41)26(37)25(36)29(39)40)45-27-21(18-6-9-20(10-7-18)47(5,42)43)16-34-35(28(27)38)19-8-11-22(32)23(33)14-19/h6-11,14,16-17,24-26,36-37H,12-13,15H2,1-5H3,(H,39,40)