sodium 3-[(2Z)-5-bromanyl-2-[(5-bromanyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[(2Z)-5-bromanyl-2-[(5-bromanyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2Z)-5-bromo-2-[(5-bromo-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: sodium 3-[(2Z)-5-bromo-2-[(5-bromo-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: sodium 3-[(2Z)-5-bromo-2-[(5-bromo-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2Z)-5-bromo-2-[(5-bromo-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C19H16Br2N2NaO3S3+ MolecularWeight: 599.33471

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=C(C=C2)Br)C=C3N(C4=C(S3)C=CC(=C4)Br)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C[N+]1=C(SC2=C1C=C(C=C2)Br)/C=C\3/N(C4=C(S3)C=CC(=C4)Br)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H16Br2N2O3S3.Na/c1-22-14-9-12(20)3-5-16(14)27-18(22)11-19-23(7-2-8-29(24,25)26)15-10-13(21)4-6-17(15)28-19;/h3-6,9-11H,2,7-8H2,1H3;/q;+1