[5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl] pyridine-2-sulfonate

Systemtic Name: [5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl] pyridine-2-sulfonate Openeye Name: [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl] pyridine-2-sulfonate CAS Name: 2-pyridinesulfonic acid [5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-2-methylphenyl] pyridine-2-sulfonate Traditional Name: pyridine-2-sulfonic acid [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-2-methyl-phenyl] ester Formula: C32H37NO6S2 MolecularWeight: 595.76928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C(C)(C)C)OS(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C(C)(C)C)OS(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C32H37NO6S2/c1-21(2)32(16-15-23-12-8-7-9-13-23)20-25(34)29(30(35)38-32)40-27-18-22(3)26(19-24(27)31(4,5)6)39-41(36,37)28-14-10-11-17-33-28/h7-14,17-19,21,35H,15-16,20H2,1-6H3