(3R,4S)-4-hexyl-3-methyl-3-pyridin-2-ylsulfanyl-oxolane-2,5-dione

Systemtic Name: (3R,4S)-4-hexyl-3-methyl-3-pyridin-2-ylsulfanyl-oxolane-2,5-dione Openeye Name: (3R,4S)-4-hexyl-3-methyl-3-(2-pyridylsulfanyl)tetrahydrofuran-2,5-dione CAS Name: (3R,4S)-4-hexyl-3-methyl-3-(2-pyridinylthio)oxolane-2,5-dione IUPAC Name: (3R,4S)-4-hexyl-3-methyl-3-pyridin-2-ylsulfanyloxolane-2,5-dione Traditional Name: (3R,4S)-4-hexyl-3-methyl-3-(2-pyridylthio)tetrahydrofuran-2,5-quinone Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)OC(=O)C1(C)SC2=CC=CC=N2

Isomeric SMILES

CCCCCC[C@H]1C(=O)OC(=O)[C@]1(C)SC2=CC=CC=N2

InChI

InChI=1S/C16H21NO3S/c1-3-4-5-6-9-12-14(18)20-15(19)16(12,2)21-13-10-7-8-11-17-13/h7-8,10-12H,3-6,9H2,1-2H3/t12-,16+/m0/s1