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

Systemtic Name: [5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] benzenesulfonate Openeye Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-2-methyl-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C31H34O7S2 MolecularWeight: 582.72746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O)C(C)(C)C)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O)C(C)(C)C)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H34O7S2/c1-20-17-27(24(30(2,3)4)18-26(20)38-40(35,36)23-9-7-6-8-10-23)39-28-25(33)19-31(5,37-29(28)34)16-15-21-11-13-22(32)14-12-21/h6-14,17-18,32,34H,15-16,19H2,1-5H3