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

Systemtic Name: [5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propyl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 1-methylimidazole-4-sulfonate Openeye Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propyl-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-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propyl-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propyl-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-[2-(4-hydroxyphenyl)ethyl]-4-keto-2-propyl-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C31H38N2O7S2 MolecularWeight: 614.77262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)OS(=O)(=O)C3=CN(C=N3)C)C)CCC4=CC=C(C=C4)O

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)OS(=O)(=O)C3=CN(C=N3)C)C)CCC4=CC=C(C=C4)O

InChI

InChI=1S/C31H38N2O7S2/c1-7-13-31(14-12-21-8-10-22(34)11-9-21)17-24(35)28(29(36)39-31)41-26-15-20(2)25(16-23(26)30(3,4)5)40-42(37,38)27-18-33(6)19-32-27/h8-11,15-16,18-19,34,36H,7,12-14,17H2,1-6H3