methyl 2-(tert-butylsulfanylmethyl)-3-nitro-benzoate

Systemtic Name: methyl 2-(tert-butylsulfanylmethyl)-3-nitro-benzoate Openeye Name: methyl 2-(tert-butylsulfanylmethyl)-3-nitro-benzoate CAS Name: 2-[(tert-butylthio)methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(tert-butylsulfanylmethyl)-3-nitrobenzoate Traditional Name: 2-[(tert-butylthio)methyl]-3-nitro-benzoic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)SCC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H17NO4S/c1-13(2,3)19-8-10-9(12(15)18-4)6-5-7-11(10)14(16)17/h5-7H,8H2,1-4H3