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

Systemtic Name: 3-[2-(2-methylpropyl)phenyl]sulfanyl-2-oxidanyl-6-(3-phenylphenyl)pyran-4-one Openeye Name: 2-hydroxy-3-(2-isobutylphenyl)sulfanyl-6-(3-phenylphenyl)pyran-4-one CAS Name: 2-hydroxy-3-[[2-(2-methylpropyl)phenyl]thio]-6-(3-phenylphenyl)-4-pyranone IUPAC Name: 2-hydroxy-3-[2-(2-methylpropyl)phenyl]sulfanyl-6-(3-phenylphenyl)pyran-4-one Traditional Name: 2-hydroxy-3-[(2-isobutylphenyl)thio]-6-(3-phenylphenyl)pyran-4-one Formula: C27H24O3S MolecularWeight: 428.54266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=CC(=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)CC1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=CC(=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H24O3S/c1-18(2)15-22-11-6-7-14-25(22)31-26-23(28)17-24(30-27(26)29)21-13-8-12-20(16-21)19-9-4-3-5-10-19/h3-14,16-18,29H,15H2,1-2H3