3-(2-tert-butylphenyl)sulfanyl-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one

Systemtic Name: 3-(2-tert-butylphenyl)sulfanyl-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one Openeye Name: 6-(1-benzylpropyl)-3-(2-tert-butylphenyl)sulfanyl-2-hydroxy-pyran-4-one CAS Name: 3-[(2-tert-butylphenyl)thio]-2-hydroxy-6-(1-phenylbutan-2-yl)-4-pyranone IUPAC Name: 3-(2-tert-butylphenyl)sulfanyl-2-hydroxy-6-(1-phenylbutan-2-yl)pyran-4-one Traditional Name: 6-(1-benzylpropyl)-3-[(2-tert-butylphenyl)thio]-2-hydroxy-pyran-4-one Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)(C)C

InChI

InChI=1S/C25H28O3S/c1-5-18(15-17-11-7-6-8-12-17)21-16-20(26)23(24(27)28-21)29-22-14-10-9-13-19(22)25(2,3)4/h6-14,16,18,27H,5,15H2,1-4H3