[5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl] 1-methylimidazole-4-sulfonate

Systemtic Name: [5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl] 1-methylimidazole-4-sulfonate Openeye Name: [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl] 1-methylimidazole-4-sulfonate CAS Name: 1-methyl-4-imidazolesulfonic acid [5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-2-methylphenyl] 1-methylimidazole-4-sulfonate Traditional Name: 1-methylimidazole-4-sulfonic acid [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-2-methyl-phenyl] ester Formula: C31H38N2O6S2 MolecularWeight: 598.77322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C(C)(C)C)OS(=O)(=O)C4=CN(C=N4)C

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C(C)(C)C)OS(=O)(=O)C4=CN(C=N4)C

InChI

InChI=1S/C31H38N2O6S2/c1-20(2)31(14-13-22-11-9-8-10-12-22)17-24(34)28(29(35)38-31)40-26-15-21(3)25(16-23(26)30(4,5)6)39-41(36,37)27-18-33(7)19-32-27/h8-12,15-16,18-20,35H,13-14,17H2,1-7H3