3-phenoxypropyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 3-phenoxypropyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 3-phenoxypropyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 3-phenoxypropyl ester IUPAC Name: 3-phenoxypropyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 3-phenoxypropyl ester Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCCOC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCCOC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO7S/c1-26(22,23)16-9-8-13(12-15(16)18(20)21)17(19)25-11-5-10-24-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3