tert-butyl 3-[chloranyl-(4-methylphenyl)sulfonyl-methyl]-4-nitro-benzoate

Systemtic Name: tert-butyl 3-[chloranyl-(4-methylphenyl)sulfonyl-methyl]-4-nitro-benzoate Openeye Name: tert-butyl 3-[chloro(p-tolylsulfonyl)methyl]-4-nitro-benzoate CAS Name: 3-[chloro-(4-methylphenyl)sulfonylmethyl]-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[chloro-(4-methylphenyl)sulfonylmethyl]-4-nitrobenzoate Traditional Name: 3-[chloro(tosyl)methyl]-4-nitro-benzoic acid tert-butyl ester Formula: C19H20ClNO6S MolecularWeight: 425.8832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO6S/c1-12-5-8-14(9-6-12)28(25,26)17(20)15-11-13(7-10-16(15)21(23)24)18(22)27-19(2,3)4/h5-11,17H,1-4H3