(3,5-dimethylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]ethanoate

Systemtic Name: (3,5-dimethylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]ethanoate Openeye Name: (3,5-dimethylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]acetate CAS Name: 2-[(S)-(2-nitrophenyl)sulfinyl]acetic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(2-nitrophenyl)sulfinyl]acetic acid (3,5-dimethylphenyl) ester Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)CS(=O)C2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C[S@](=O)C2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C16H15NO5S/c1-11-7-12(2)9-13(8-11)22-16(18)10-23(21)15-6-4-3-5-14(15)17(19)20/h3-9H,10H2,1-2H3/t23-/m0/s1