(5-methyl-2-propan-2-yl-phenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]acetate CAS Name: 2-[(S)-(2-nitrophenyl)sulfinyl]acetic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-[(S)-(2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(2-nitrophenyl)sulfinyl]acetic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-12(2)14-9-8-13(3)10-16(14)24-18(20)11-25(23)17-7-5-4-6-15(17)19(21)22/h4-10,12H,11H2,1-3H3/t25-/m0/s1