(2Z)-5-chloranyl-2-[(2E)-2-[(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: (2Z)-5-chloranyl-2-[(2E)-2-[(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-5-chloro-2-[(E)-3-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-ethyl-prop-2-enylidene]-3-ethyl-1,3-benzothiazole tosylate Formula: C30H30Cl2N2O3S3 MolecularWeight: 633.6718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CC)C=C3N(C4=C(S3)C=CC(=C4)Cl)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Cl)CC)/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H23Cl2N2S2.C7H8O3S/c1-4-15(11-22-26(5-2)18-13-16(24)7-9-20(18)28-22)12-23-27(6-3)19-14-17(25)8-10-21(19)29-23;1-6-2-4-7(5-3-6)11(8,9)10/h7-14H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1