(2,5-dimethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6S/c1-22-13-5-6-15(23-2)12(8-13)10-24-17(19)11-4-7-16(25-3)14(9-11)18(20)21/h4-9H,10H2,1-3H3