(3R,4S)-4-[(Z)-heptadec-8-enyl]-3-methyl-3-pyridin-2-ylsulfanyl-oxolane-2,5-dione

Systemtic Name: (3R,4S)-4-[(Z)-heptadec-8-enyl]-3-methyl-3-pyridin-2-ylsulfanyl-oxolane-2,5-dione Openeye Name: (3R,4S)-4-[(Z)-heptadec-8-enyl]-3-methyl-3-(2-pyridylsulfanyl)tetrahydrofuran-2,5-dione CAS Name: (3R,4S)-4-[(Z)-heptadec-8-enyl]-3-methyl-3-(2-pyridinylthio)oxolane-2,5-dione IUPAC Name: (3R,4S)-4-[(Z)-heptadec-8-enyl]-3-methyl-3-pyridin-2-ylsulfanyloxolane-2,5-dione Traditional Name: (3R,4S)-4-[(Z)-heptadec-8-enyl]-3-methyl-3-(2-pyridylthio)tetrahydrofuran-2,5-quinone Formula: C27H41NO3S MolecularWeight: 459.68434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1C(=O)OC(=O)C1(C)SC2=CC=CC=N2

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCC[C@H]1C(=O)OC(=O)[C@]1(C)SC2=CC=CC=N2

InChI

InChI=1S/C27H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-25(29)31-26(30)27(23,2)32-24-21-18-19-22-28-24/h10-11,18-19,21-23H,3-9,12-17,20H2,1-2H3/b11-10-/t23-,27+/m0/s1