2-phenoxyethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 2-phenoxyethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 2-phenoxyethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 2-phenoxyethyl ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7S/c1-25(21,22)15-8-7-12(11-14(15)17(19)20)16(18)24-10-9-23-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3