3-[(2E)-5-chloranyl-2-[(2E)-2-[[5-chloranyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-5-chloranyl-2-[(2E)-2-[[5-chloranyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-5-chloro-2-[(2E)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-5-chloro-2-[(2E)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-5-chloro-2-[(2E)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-5-chloro-2-[(E)-3-[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]-2-ethyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C25H27Cl2N2O6S4+ MolecularWeight: 650.65768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)C=C3N(C4=C(S3)C=CC(=C4)Cl)CCCS(=O)(=O)O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C/3\N(C4=C(S3)C=CC(=C4)Cl)CCCS(=O)(=O)O

InChI

InChI=1S/C25H26Cl2N2O6S4/c1-2-17(13-24-28(9-3-11-38(30,31)32)20-15-18(26)5-7-22(20)36-24)14-25-29(10-4-12-39(33,34)35)21-16-19(27)6-8-23(21)37-25/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35)/p+1