3-[(2Z)-5,6-bis(chloranyl)-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-5,6-bis(chloranyl)-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-5,6-dichloro-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylene]benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-5,6-dichloro-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-5,6-dichloro-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]benzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-5,6-dichloro-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylene]benzimidazol-1-yl]propane-1-sulfonic acid Formula: C22H24Cl2N3O4S+ MolecularWeight: 497.41466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N3O4S/c1-3-25-18-12-15(23)16(24)13-19(18)27(10-7-11-32(28,29)30)21(25)14-22-26(4-2)17-8-5-6-9-20(17)31-22/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3/p+1