3-[(2Z)-5-chloranyl-2-[(2E)-2-[[5-chloranyl-3-(2-oxidanyl-3-sulfonato-propyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[(2Z)-5-chloranyl-2-[(2E)-2-[[5-chloranyl-3-(2-oxidanyl-3-sulfonato-propyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[(2Z)-5-chloro-2-[(2E)-2-[[5-chloro-3-(2-hydroxy-3-sulfonato-propyl)-1,3-benzothiazol-3-ium-2-yl]methylene]butylidene]-1,3-benzothiazol-3-yl]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[(2Z)-5-chloro-2-[(2E)-2-[[5-chloro-3-(2-hydroxy-3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[(2Z)-5-chloro-2-[(2E)-2-[[5-chloro-3-(2-hydroxy-3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[(2Z)-5-chloro-2-[(E)-3-[5-chloro-3-(2-hydroxy-3-sulfonato-propyl)-1,3-benzothiazol-3-ium-2-yl]-2-ethyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]-2-hydroxy-propane-1-sulfonate Formula: C25H25Cl2N2O8S4- MolecularWeight: 680.6406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26Cl2N2O8S4/c1-2-15(7-24-28(11-18(30)13-40(32,33)34)20-9-16(26)3-5-22(20)38-24)8-25-29(12-19(31)14-41(35,36)37)21-10-17(27)4-6-23(21)39-25/h3-10,18-19,30-31H,2,11-14H2,1H3,(H-,32,33,34,35,36,37)/p-1