[5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate

Systemtic Name: [5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate Openeye Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate CAS Name: 1-imidazolylmethanesulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] imidazol-1-ylmethanesulfonate Traditional Name: imidazol-1-ylmethanesulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-keto-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C31H38N2O7S2 MolecularWeight: 614.77262

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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)C(C)C)O)C(C)(C)C)OS(=O)(=O)CN4C=CN=C4

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O)C(C)(C)C)OS(=O)(=O)CN4C=CN=C4

InChI

InChI=1S/C31H38N2O7S2/c1-20(2)31(12-11-22-7-9-23(34)10-8-22)17-25(35)28(29(36)39-31)41-27-15-21(3)26(16-24(27)30(4,5)6)40-42(37,38)19-33-14-13-32-18-33/h7-10,13-16,18,20,34,36H,11-12,17,19H2,1-6H3