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

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] 4-cyanobenzenesulfonate 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] 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic 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] 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic 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: C37H41NO7S2 MolecularWeight: 675.85394

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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=C(C=C5)C#N

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=C(C=C5)C#N

InChI

InChI=1S/C37H41NO7S2/c1-24-20-33(30(36(2,3)4)21-32(24)45-47(42,43)29-16-12-26(23-38)13-17-29)46-34-31(40)22-37(44-35(34)41,27-8-6-5-7-9-27)19-18-25-10-14-28(39)15-11-25/h10-17,20-21,27,39,41H,5-9,18-19,22H2,1-4H3