5,7-bis(chloranyl)-3-ethyl-2-methyl-2H-1,3-benzoxazole; ethyl sulfate

Systemtic Name: 5,7-bis(chloranyl)-3-ethyl-2-methyl-2H-1,3-benzoxazole; ethyl sulfate Openeye Name: 5,7-dichloro-3-ethyl-2-methyl-2H-1,3-benzoxazole; ethyl sulfate CAS Name: 5,7-dichloro-3-ethyl-2-methyl-2H-1,3-benzoxazole; ethyl sulfate IUPAC Name: 5,7-dichloro-3-ethyl-2-methyl-2H-1,3-benzoxazole; ethyl sulfate Traditional Name: 5,7-dichloro-3-ethyl-2-methyl-2H-1,3-benzoxazole; ethyl sulfate Formula: C12H16Cl2NO5S- MolecularWeight: 357.23014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(OC2=C(C=C(C=C21)Cl)Cl)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCN1C(OC2=C(C=C(C=C21)Cl)Cl)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C10H11Cl2NO.C2H6O4S/c1-3-13-6(2)14-10-8(12)4-7(11)5-9(10)13;1-2-6-7(3,4)5/h4-6H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/p-1