3-[2-(2-methylpropyl)phenyl]sulfanyl-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[2-(2-methylpropyl)phenyl]sulfanyl-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 2-hydroxy-3-(2-isobutylphenyl)sulfanyl-6-phenyl-pyran-4-one CAS Name: 2-hydroxy-3-[[2-(2-methylpropyl)phenyl]thio]-6-phenyl-4-pyranone IUPAC Name: 2-hydroxy-3-[2-(2-methylpropyl)phenyl]sulfanyl-6-phenylpyran-4-one Traditional Name: 2-hydroxy-3-[(2-isobutylphenyl)thio]-6-phenyl-pyran-4-one Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CC1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H20O3S/c1-14(2)12-16-10-6-7-11-19(16)25-20-17(22)13-18(24-21(20)23)15-8-4-3-5-9-15/h3-11,13-14,23H,12H2,1-2H3