(2,6-ditert-butylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]ethanoate

Systemtic Name: (2,6-ditert-butylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]ethanoate Openeye Name: (2,6-ditert-butylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetate CAS Name: 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetic acid (2,6-ditert-butylphenyl) ester IUPAC Name: (2,6-ditert-butylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetic acid (2,6-ditert-butylphenyl) ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-21(2,3)15-8-7-9-16(22(4,5)6)20(15)31-19(25)13-32(30)18-11-10-14(23(26)27)12-17(18)24(28)29/h7-12H,13H2,1-6H3/t32-/m0/s1