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

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] benzenesulfonate 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] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic 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: C36H42O7S2 MolecularWeight: 650.84448

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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=CC=CC=C5

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=CC=CC=C5

InChI

InChI=1S/C36H42O7S2/c1-24-21-32(29(35(2,3)4)22-31(24)43-45(40,41)28-13-9-6-10-14-28)44-33-30(38)23-36(42-34(33)39,26-11-7-5-8-12-26)20-19-25-15-17-27(37)18-16-25/h6,9-10,13-18,21-22,26,37,39H,5,7-8,11-12,19-20,23H2,1-4H3