[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] thiophene-2-sulfonate

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] thiophene-2-sulfonate 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] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic 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] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic 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: C31H36O7S3 MolecularWeight: 616.80834

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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)C4=CC=CS4

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)C4=CC=CS4

InChI

InChI=1S/C31H36O7S3/c1-19(2)31(14-13-21-9-11-22(32)12-10-21)18-24(33)28(29(34)37-31)40-26-16-20(3)25(17-23(26)30(4,5)6)38-41(35,36)27-8-7-15-39-27/h7-12,15-17,19,32,34H,13-14,18H2,1-6H3