(3S,4R)-3-methyl-3-phenylsulfanyl-4-tetradecyl-oxolane-2,5-dione

Systemtic Name: (3S,4R)-3-methyl-3-phenylsulfanyl-4-tetradecyl-oxolane-2,5-dione Openeye Name: (3S,4R)-3-methyl-3-phenylsulfanyl-4-tetradecyl-tetrahydrofuran-2,5-dione CAS Name: (3S,4R)-3-methyl-3-(phenylthio)-4-tetradecyloxolane-2,5-dione IUPAC Name: (3S,4R)-3-methyl-3-phenylsulfanyl-4-tetradecyloxolane-2,5-dione Traditional Name: (3S,4R)-3-methyl-4-myristyl-3-(phenylthio)tetrahydrofuran-2,5-quinone Formula: C25H38O3S MolecularWeight: 418.63242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1C(=O)OC(=O)C1(C)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCC[C@@H]1C(=O)OC(=O)[C@@]1(C)SC2=CC=CC=C2

InChI

InChI=1S/C25H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-22-23(26)28-24(27)25(22,2)29-21-18-15-14-16-19-21/h14-16,18-19,22H,3-13,17,20H2,1-2H3/t22-,25+/m1/s1