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

Systemtic Name: 3-[(2Z)-5,6-bis(chloranyl)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-5,6-dichloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-5,6-dichloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-5,6-dichloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-5,6-dichloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C20H19Cl2N2O3S3+ MolecularWeight: 502.47746

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3N(C4=CC(=C(C=C4S3)Cl)Cl)CCCS(=O)(=O)O

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C\3/N(C4=CC(=C(C=C4S3)Cl)Cl)CCCS(=O)(=O)O

InChI

InChI=1S/C20H18Cl2N2O3S3/c1-2-23-15-6-3-4-7-17(15)28-19(23)12-20-24(8-5-9-30(25,26)27)16-10-13(21)14(22)11-18(16)29-20/h3-4,6-7,10-12H,2,5,8-9H2,1H3/p+1