2-acetyloxy-3-[(2E)-5,6-bis(chloranyl)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate

Systemtic Name: 2-acetyloxy-3-[(2E)-5,6-bis(chloranyl)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate Openeye Name: 2-acetoxy-3-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate CAS Name: 2-acetyloxy-3-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1-benzimidazolyl]-1-propanesulfonate IUPAC Name: 2-acetyloxy-3-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate Traditional Name: 2-acetoxy-3-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate Formula: C26H27Cl2N3O6S MolecularWeight: 580.48008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=CC=CC=C4O3)CC)CC(CS(=O)(=O)[O-])OC(=O)C)Cl)Cl

Isomeric SMILES

CCN\1C2=CC(=C(C=C2N(/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)CC)CC(CS(=O)(=O)[O-])OC(=O)C)Cl)Cl

InChI

InChI=1S/C26H27Cl2N3O6S/c1-4-29-22-13-19(27)20(28)14-23(22)31(15-18(36-17(3)32)16-38(33,34)35)25(29)11-8-12-26-30(5-2)21-9-6-7-10-24(21)37-26/h6-14,18H,4-5,15-16H2,1-3H3