2-(4-ethoxyphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 2-(4-ethoxyphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 2-(4-ethoxyphenoxy)ethyl ester Formula: C18H19NO8S MolecularWeight: 409.41036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO8S/c1-3-25-14-5-7-15(8-6-14)26-10-11-27-18(20)13-4-9-17(28(2,23)24)16(12-13)19(21)22/h4-9,12H,3,10-11H2,1-2H3