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

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-methylbenzenesulfonate 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-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic 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: C37H44O7S2 MolecularWeight: 664.87106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2)C(C)(C)C)SC3=C(OC(CC3=O)(CCC4=CC=C(C=C4)O)C5CCCCC5)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2)C(C)(C)C)SC3=C(OC(CC3=O)(CCC4=CC=C(C=C4)O)C5CCCCC5)O)C

InChI

InChI=1S/C37H44O7S2/c1-24-11-17-29(18-12-24)46(41,42)44-32-22-30(36(3,4)5)33(21-25(32)2)45-34-31(39)23-37(43-35(34)40,27-9-7-6-8-10-27)20-19-26-13-15-28(38)16-14-26/h11-18,21-22,27,38,40H,6-10,19-20,23H2,1-5H3