2-(3,5-dimethylphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H19NO7S/c1-12-8-13(2)10-15(9-12)25-6-7-26-18(20)14-4-5-17(27(3,23)24)16(11-14)19(21)22/h4-5,8-11H,6-7H2,1-3H3