3-[4-(2-methylbutan-2-yl)phenoxy]-6-nitro-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-[4-(2-methylbutan-2-yl)phenoxy]-6-nitro-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-[4-(1,1-dimethylpropyl)phenoxy]-6-nitro-1,2-benzothiazole 1,1-dioxide CAS Name: 3-[4-(2-methylbutan-2-yl)phenoxy]-6-nitro-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-[4-(2-methylbutan-2-yl)phenoxy]-6-nitro-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-(4-tert-amylphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-4-18(2,3)12-5-8-14(9-6-12)25-17-15-10-7-13(20(21)22)11-16(15)26(23,24)19-17/h5-11H,4H2,1-3H3