3-[2-tert-butyl-4-(3,3-dimethyl-2-oxidanylidene-butoxy)phenyl]sulfanyl-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[2-tert-butyl-4-(3,3-dimethyl-2-oxidanylidene-butoxy)phenyl]sulfanyl-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-[2-tert-butyl-4-(3,3-dimethyl-2-oxo-butoxy)phenyl]sulfanyl-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[[2-tert-butyl-4-(3,3-dimethyl-2-oxobutoxy)phenyl]thio]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-[2-tert-butyl-4-(3,3-dimethyl-2-oxobutoxy)phenyl]sulfanyl-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[[2-tert-butyl-4-(2-keto-3,3-dimethyl-butoxy)phenyl]thio]-2-hydroxy-6-phenyl-pyran-4-one Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OCC(=O)C(C)(C)C)SC2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OCC(=O)C(C)(C)C)SC2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C27H30O5S/c1-26(2,3)19-14-18(31-16-23(29)27(4,5)6)12-13-22(19)33-24-20(28)15-21(32-25(24)30)17-10-8-7-9-11-17/h7-15,30H,16H2,1-6H3