(2Z)-5-chloranyl-2-[(E)-3-(5-chloranyl-3-ethyl-1,3-benzoxazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-3-ethyl-1,3-benzoxazole; ethyl sulfate

Systemtic Name: (2Z)-5-chloranyl-2-[(E)-3-(5-chloranyl-3-ethyl-1,3-benzoxazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-3-ethyl-1,3-benzoxazole; ethyl sulfate Openeye Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzoxazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-3-ethyl-1,3-benzoxazole; ethyl sulfate CAS Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-3-ethyl-1,3-benzoxazole; ethyl sulfate IUPAC Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-3-ethyl-1,3-benzoxazole; ethyl sulfate Traditional Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzoxazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-3-ethyl-1,3-benzoxazole; ethyl sulfate Formula: C24H26Cl2N2O6S MolecularWeight: 541.44404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)OC1=CC(=CC3=[N+](C4=C(O3)C=CC(=C4)Cl)CC)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)Cl)O/C1=C\C(=C\C3=[N+](C4=C(O3)C=CC(=C4)Cl)CC)\C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C22H21Cl2N2O2.C2H6O4S/c1-4-25-17-12-15(23)6-8-19(17)27-21(25)10-14(3)11-22-26(5-2)18-13-16(24)7-9-20(18)28-22;1-2-6-7(3,4)5/h6-13H,4-5H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1