[(3S,4R,5R)-4-(carboxymethyl)-5-octyl-2-oxidanylidene-oxolan-3-yl]-methyl-phenyl-sulfanium

Systemtic Name: [(3S,4R,5R)-4-(carboxymethyl)-5-octyl-2-oxidanylidene-oxolan-3-yl]-methyl-phenyl-sulfanium Openeye Name: [(3S,4R,5R)-4-(carboxymethyl)-5-octyl-2-oxo-tetrahydrofuran-3-yl]-methyl-phenyl-sulfonium CAS Name: [(3S,4R,5R)-4-(carboxymethyl)-5-octyl-2-oxo-3-oxolanyl]-methyl-phenylsulfonium IUPAC Name: [(3S,4R,5R)-4-(carboxymethyl)-5-octyl-2-oxooxolan-3-yl]-methyl-phenylsulfanium Traditional Name: [(3S,4R,5R)-4-(carboxymethyl)-2-keto-5-octyl-tetrahydrofuran-3-yl]-methyl-phenyl-sulfonium Formula: C21H31O4S+ MolecularWeight: 379.53344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(C(=O)O1)[S+](C)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCCCCCCC[C@@H]1[C@H]([C@@H](C(=O)O1)[S+](C)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C21H30O4S/c1-3-4-5-6-7-11-14-18-17(15-19(22)23)20(21(24)25-18)26(2)16-12-9-8-10-13-16/h8-10,12-13,17-18,20H,3-7,11,14-15H2,1-2H3/p+1/t17-,18-,20+,26?/m1/s1