3-[(2E)-5-chloranyl-2-[(2E)-2-[2-chloranyl-3-[(E)-2-[5-chloranyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-5-chloranyl-2-[(2E)-2-[2-chloranyl-3-[(E)-2-[5-chloranyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-5-chloro-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]vinyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-5-chloro-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl]-1-cyclopent-2-enylidene]ethylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-5-chloro-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-5-chloro-2-[(2E)-2-[2-chloro-3-[(E)-2-[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]vinyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C29H28Cl3N2O6S4+ MolecularWeight: 735.16142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C2N(C3=C(S2)C=CC(=C3)Cl)CCCS(=O)(=O)O)C(=C1C=CC4=[N+](C5=C(S4)C=CC(=C5)Cl)CCCS(=O)(=O)O)Cl

Isomeric SMILES

C1C/C(=C\C=C\2/N(C3=C(S2)C=CC(=C3)Cl)CCCS(=O)(=O)O)/C(=C1/C=C/C4=[N+](C5=C(S4)C=CC(=C5)Cl)CCCS(=O)(=O)O)Cl

InChI

InChI=1S/C29H27Cl3N2O6S4/c30-21-7-9-25-23(17-21)33(13-1-15-43(35,36)37)27(41-25)11-5-19-3-4-20(29(19)32)6-12-28-34(14-2-16-44(38,39)40)24-18-22(31)8-10-26(24)42-28/h5-12,17-18H,1-4,13-16H2,(H-,35,36,37,38,39,40)/p+1