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

Systemtic Name: [5-tert-butyl-4-[(2,2-dicyclopentyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl] 1-methylimidazole-4-sulfonate Openeye Name: [5-tert-butyl-4-[(2,2-dicyclopentyl-6-hydroxy-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-[(2,2-dicyclopentyl-6-hydroxy-4-oxo-3H-pyran-5-yl)thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[(2,2-dicyclopentyl-6-hydroxy-4-oxo-3H-pyran-5-yl)sulfanyl]-2-methylphenyl] 1-methylimidazole-4-sulfonate Traditional Name: 1-methylimidazole-4-sulfonic acid [5-tert-butyl-4-[(2,2-dicyclopentyl-6-hydroxy-4-keto-3H-pyran-5-yl)thio]-2-methyl-phenyl] ester Formula: C30H40N2O6S2 MolecularWeight: 588.7784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)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)(C3CCCC3)C4CCCC4)O)C(C)(C)C)OS(=O)(=O)C5=CN(C=N5)C

InChI

InChI=1S/C30H40N2O6S2/c1-19-14-25(22(29(2,3)4)15-24(19)38-40(35,36)26-17-32(5)18-31-26)39-27-23(33)16-30(37-28(27)34,20-10-6-7-11-20)21-12-8-9-13-21/h14-15,17-18,20-21,34H,6-13,16H2,1-5H3