(3S,4S,5R)-3-methyl-5-tridecyl-4-[tris(phenylsulfanyl)methyl]oxolan-2-one

Systemtic Name: (3S,4S,5R)-3-methyl-5-tridecyl-4-[tris(phenylsulfanyl)methyl]oxolan-2-one Openeye Name: (3S,4S,5R)-3-methyl-5-tridecyl-4-[tris(phenylsulfanyl)methyl]tetrahydrofuran-2-one CAS Name: (3S,4S,5R)-3-methyl-5-tridecyl-4-[tris(phenylthio)methyl]-2-oxolanone IUPAC Name: (3S,4S,5R)-3-methyl-5-tridecyl-4-[tris(phenylsulfanyl)methyl]oxolan-2-one Traditional Name: (3S,4S,5R)-3-methyl-5-tridecyl-4-[tris(phenylthio)methyl]tetrahydrofuran-2-one Formula: C37H48O2S3 MolecularWeight: 620.97082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(C(C(=O)O1)C)C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCC[C@@H]1[C@H]([C@@H](C(=O)O1)C)C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C37H48O2S3/c1-3-4-5-6-7-8-9-10-11-12-22-29-34-35(30(2)36(38)39-34)37(40-31-23-16-13-17-24-31,41-32-25-18-14-19-26-32)42-33-27-20-15-21-28-33/h13-21,23-28,30,34-35H,3-12,22,29H2,1-2H3/t30-,34+,35-/m0/s1