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

Systemtic Name: [5-tert-butyl-4-[[2-cyclohexyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 1-methylimidazole-4-sulfonate Openeye Name: [5-tert-butyl-4-[[2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 1-methylimidazole-4-sulfonate CAS Name: 1-methyl-4-imidazolesulfonic acid [5-tert-butyl-4-[[2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] 1-methylimidazole-4-sulfonate Traditional Name: 1-methylimidazole-4-sulfonic acid [5-tert-butyl-4-[[2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C34H42N2O7S2 MolecularWeight: 654.83648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCCCC4)O)C(C)(C)C)OS(=O)(=O)C5=CN(C=N5)C

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCCCC4)O)C(C)(C)C)OS(=O)(=O)C5=CN(C=N5)C

InChI

InChI=1S/C34H42N2O7S2/c1-22-17-29(26(33(2,3)4)18-28(22)43-45(40,41)30-20-36(5)21-35-30)44-31-27(38)19-34(42-32(31)39,24-9-7-6-8-10-24)16-15-23-11-13-25(37)14-12-23/h11-14,17-18,20-21,24,37,39H,6-10,15-16,19H2,1-5H3