4-[(2Z)-5-chloranyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid hydroxide

Systemtic Name: 4-[(2Z)-5-chloranyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid hydroxide Openeye Name: 4-[(2Z)-5-chloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid hydroxide CAS Name: 4-[(2Z)-5-chloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]-1-butanesulfonic acid hydroxide IUPAC Name: 4-[(2Z)-5-chloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid hydroxide Traditional Name: 4-[(2Z)-5-chloro-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid hydroxide Formula: C21H23ClN2O4S3 MolecularWeight: 499.06632

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3N(C4=C(S3)C=CC(=C4)Cl)CCCCS(=O)(=O)O.[OH-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)CCCCS(=O)(=O)O.[OH-]

InChI

InChI=1S/C21H21ClN2O3S3.H2O/c1-2-23-16-7-3-4-8-18(16)28-20(23)14-21-24(11-5-6-12-30(25,26)27)17-13-15(22)9-10-19(17)29-21;/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3;1H2