3-[(2Z)-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; pyridin-1-ium

Systemtic Name: 3-[(2Z)-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; pyridin-1-ium Openeye Name: 3-[(2Z)-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; pyridin-1-ium CAS Name: 3-[(2Z)-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; pyridin-1-ium IUPAC Name: 3-[(2Z)-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; pyridin-1-ium Traditional Name: 3-[(2Z)-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; pyridin-1-ium Formula: C30H33Cl2N3O6S4+2 MolecularWeight: 730.76552

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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.C1=CC=[NH+]C=C1

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.C1=CC=[NH+]C=C1

InChI

InChI=1S/C25H26Cl2N2O6S4.C5H5N/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;1-2-4-6-5-3-1/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35);1-5H/p+2