ethyl (2S,3R)-3-(3-dodecylphenyl)-2-(4-nitrophenyl)sulfonyloxy-3-oxidanyl-propanoate

Systemtic Name: ethyl (2S,3R)-3-(3-dodecylphenyl)-2-(4-nitrophenyl)sulfonyloxy-3-oxidanyl-propanoate Openeye Name: ethyl (2S,3R)-3-(3-dodecylphenyl)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxy-propanoate CAS Name: (2S,3R)-3-(3-dodecylphenyl)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxypropanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-(3-dodecylphenyl)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxypropanoate Traditional Name: (2S,3R)-3-hydroxy-3-(3-laurylphenyl)-2-nosyloxy-propionic acid ethyl ester Formula: C29H41NO8S MolecularWeight: 563.70274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)C(C(C(=O)OCC)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)[C@H]([C@@H](C(=O)OCC)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C29H41NO8S/c1-3-5-6-7-8-9-10-11-12-13-15-23-16-14-17-24(22-23)27(31)28(29(32)37-4-2)38-39(35,36)26-20-18-25(19-21-26)30(33)34/h14,16-22,27-28,31H,3-13,15H2,1-2H3/t27-,28+/m1/s1