(3,5-dimethylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]ethanoate

Systemtic Name: (3,5-dimethylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]ethanoate Openeye Name: (3,5-dimethylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetate CAS Name: 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetic acid (3,5-dimethylphenyl) ester Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O7S/c1-10-5-11(2)7-13(6-10)25-16(19)9-26(24)15-4-3-12(17(20)21)8-14(15)18(22)23/h3-8H,9H2,1-2H3/t26-/m0/s1