2-[5-chloranyl-2-[(E)-2-[(E)-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid

Systemtic Name: 2-[5-chloranyl-2-[(E)-2-[(E)-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid Openeye Name: 2-[5-chloro-2-[(E)-2-[(E)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid CAS Name: 2-[5-chloro-2-[(E)-2-[(E)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid IUPAC Name: 2-[5-chloro-2-[(E)-2-[(E)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid Traditional Name: 2-[5-chloro-2-[(E)-2-[(E)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid Formula: C23H23Cl2N2O3S3+ MolecularWeight: 542.54132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22Cl2N2O3S3/c1-3-15(11-22-26(4-2)18-13-16(24)5-7-20(18)31-22)12-23-27(9-10-33(28,29)30)19-14-17(25)6-8-21(19)32-23/h5-8,11-14H,3-4,9-10H2,1-2H3/p+1