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

Systemtic Name: (4-butylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]ethanoate Openeye Name: (4-butylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetate CAS Name: 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetic acid (4-butylphenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C[S@](=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-2-3-4-13-5-8-15(9-6-13)27-18(21)12-28(26)17-10-7-14(19(22)23)11-16(17)20(24)25/h5-11H,2-4,12H2,1H3/t28-/m0/s1