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

Systemtic Name: (3R,4S)-3-methyl-3-pyridin-2-ylsulfanyl-4-tridecyl-oxolane-2,5-dione Openeye Name: (3R,4S)-3-methyl-3-(2-pyridylsulfanyl)-4-tridecyl-tetrahydrofuran-2,5-dione CAS Name: (3R,4S)-3-methyl-3-(2-pyridinylthio)-4-tridecyloxolane-2,5-dione IUPAC Name: (3R,4S)-3-methyl-3-pyridin-2-ylsulfanyl-4-tridecyloxolane-2,5-dione Traditional Name: (3R,4S)-3-methyl-3-(2-pyridylthio)-4-tridecyl-tetrahydrofuran-2,5-quinone Formula: C23H35NO3S MolecularWeight: 405.5939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(=O)OC(=O)C1(C)SC2=CC=CC=N2

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-21(25)27-22(26)23(19,2)28-20-17-14-15-18-24-20/h14-15,17-19H,3-13,16H2,1-2H3/t19-,23+/m0/s1