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

Systemtic Name: (2,5-dimethoxyphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C17H17NO8S MolecularWeight: 395.38378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO8S/c1-24-13-5-6-15(25-2)12(8-13)10-26-17(19)11-4-7-16(27(3,22)23)14(9-11)18(20)21/h4-9H,10H2,1-3H3