butyl 4-(4-methylsulfonyl-2-nitro-phenoxy)benzoate

Systemtic Name: butyl 4-(4-methylsulfonyl-2-nitro-phenoxy)benzoate Openeye Name: butyl 4-(4-methylsulfonyl-2-nitro-phenoxy)benzoate CAS Name: 4-(4-methylsulfonyl-2-nitrophenoxy)benzoic acid butyl ester IUPAC Name: butyl 4-(4-methylsulfonyl-2-nitrophenoxy)benzoate Traditional Name: 4-(4-mesyl-2-nitro-phenoxy)benzoic acid butyl ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO7S/c1-3-4-11-25-18(20)13-5-7-14(8-6-13)26-17-10-9-15(27(2,23)24)12-16(17)19(21)22/h5-10,12H,3-4,11H2,1-2H3