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

Systemtic Name: 3-[(2E)-5-chloranyl-2-[(2Z)-2-[[5-chloranyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoic acid Openeye Name: 3-[(2E)-5-chloro-2-[(2Z)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene]butylidene]-1,3-benzothiazol-3-yl]propanoic acid CAS Name: 3-[(2E)-5-chloro-2-[(2Z)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoic acid IUPAC Name: 3-[(2E)-5-chloro-2-[(2Z)-2-[[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoic acid Traditional Name: 3-[(2E)-5-chloro-2-[(Z)-3-[5-chloro-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]-2-ethyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]propionic acid Formula: C25H25Cl2N2O5S3+ MolecularWeight: 600.5774

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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)CCC(=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)CCC(=O)O

InChI

InChI=1S/C25H24Cl2N2O5S3/c1-2-16(13-24-29(10-8-25(30)31)20-15-18(27)5-7-22(20)36-24)12-23-28(9-3-11-37(32,33)34)19-14-17(26)4-6-21(19)35-23/h4-7,12-15H,2-3,8-11H2,1H3,(H-,30,31,32,33,34)/p+1