methyl 4-(2-butan-2-ylphenoxy)sulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-(2-butan-2-ylphenoxy)sulfonyl-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-(2-sec-butylphenoxy)sulfonyl-benzoate CAS Name: 4-(2-butan-2-ylphenoxy)sulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-butan-2-ylphenoxy)sulfonyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(2-sec-butylphenoxy)sulfonyl-benzoic acid methyl ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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