(5-methyl-2-propan-2-yl-phenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetate CAS Name: 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(2,4-dinitrophenyl)sulfinyl]acetic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-11(2)14-6-4-12(3)8-16(14)27-18(21)10-28(26)17-7-5-13(19(22)23)9-15(17)20(24)25/h4-9,11H,10H2,1-3H3/t28-/m0/s1