(2,6-ditert-butylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]ethanoate

Systemtic Name: (2,6-ditert-butylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]ethanoate Openeye Name: (2,6-ditert-butylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]acetate CAS Name: 2-[(S)-(2-nitrophenyl)sulfinyl]acetic acid (2,6-ditert-butylphenyl) ester IUPAC Name: (2,6-ditert-butylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(2-nitrophenyl)sulfinyl]acetic acid (2,6-ditert-butylphenyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-21(2,3)15-10-9-11-16(22(4,5)6)20(15)28-19(24)14-29(27)18-13-8-7-12-17(18)23(25)26/h7-13H,14H2,1-6H3/t29-/m0/s1