[(2Z)-6-chloranyl-2-[(2E)-2-[[6-chloranyl-3-(sulfomethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]methanesulfonic acid

Systemtic Name: [(2Z)-6-chloranyl-2-[(2E)-2-[[6-chloranyl-3-(sulfomethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]methanesulfonic acid Openeye Name: [(2Z)-6-chloro-2-[(2E)-2-[[6-chloro-3-(sulfomethyl)-1,3-benzothiazol-3-ium-2-yl]methylene]butylidene]-1,3-benzothiazol-3-yl]methanesulfonic acid CAS Name: [(2Z)-6-chloro-2-[(2E)-2-[[6-chloro-3-(sulfomethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]methanesulfonic acid IUPAC Name: [(2Z)-6-chloro-2-[(2E)-2-[[6-chloro-3-(sulfomethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]methanesulfonic acid Traditional Name: [(2Z)-6-chloro-2-[(E)-3-[6-chloro-3-(sulfomethyl)-1,3-benzothiazol-3-ium-2-yl]-2-ethyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]methanesulfonic acid Formula: C21H19Cl2N2O6S4+ MolecularWeight: 594.55136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O6S4/c1-2-13(7-20-24(11-34(26,27)28)16-5-3-14(22)9-18(16)32-20)8-21-25(12-35(29,30)31)17-6-4-15(23)10-19(17)33-21/h3-10H,2,11-12H2,1H3,(H-,26,27,28,29,30,31)/p+1