2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-sulfanyl-3H-pyran-4-one

Systemtic Name: 2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-sulfanyl-3H-pyran-4-one Openeye Name: 6-hydroxy-2-isopentyl-2-phenyl-5-sulfanyl-3H-pyran-4-one CAS Name: 6-hydroxy-5-mercapto-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-(3-methylbutyl)-2-phenyl-5-sulfanyl-3H-pyran-4-one Traditional Name: 6-hydroxy-2-isoamyl-5-mercapto-2-phenyl-3H-pyran-4-one Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(=O)C(=C(O1)O)S)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC1(CC(=O)C(=C(O1)O)S)C2=CC=CC=C2

InChI

InChI=1S/C16H20O3S/c1-11(2)8-9-16(12-6-4-3-5-7-12)10-13(17)14(20)15(18)19-16/h3-7,11,18,20H,8-10H2,1-2H3