(phenylmethyl) 3-methyl-2-(2-nitrophenyl)sulfinyl-butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-(2-nitrophenyl)sulfinyl-butanoate Openeye Name: benzyl 3-methyl-2-(2-nitrophenyl)sulfinyl-butanoate CAS Name: 3-methyl-2-(2-nitrophenyl)sulfinylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-(2-nitrophenyl)sulfinylbutanoate Traditional Name: 3-methyl-2-(2-nitrophenyl)sulfinyl-butyric acid benzyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)S(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)S(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19NO5S/c1-13(2)17(18(20)24-12-14-8-4-3-5-9-14)25(23)16-11-7-6-10-15(16)19(21)22/h3-11,13,17H,12H2,1-2H3