1-[(2E)-2-[(3-methyl-5-phenyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-2-sulfonic acid

Systemtic Name: 1-[(2E)-2-[(3-methyl-5-phenyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-2-sulfonic acid Openeye Name: 1-[(2E)-2-[(3-methyl-5-phenyl-1,3-benzothiazol-3-ium-2-yl)methylene]-5-phenyl-1,3-benzothiazol-3-yl]propane-2-sulfonic acid CAS Name: 1-[(2E)-2-[(3-methyl-5-phenyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-phenyl-1,3-benzothiazol-3-yl]-2-propanesulfonic acid IUPAC Name: 1-[(2E)-2-[(3-methyl-5-phenyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-2-sulfonic acid Traditional Name: 1-[(2E)-2-[(3-methyl-5-phenyl-1,3-benzothiazol-3-ium-2-yl)methylene]-5-phenyl-1,3-benzothiazol-3-yl]propane-2-sulfonic acid Formula: C31H27N2O3S3+ MolecularWeight: 571.75268

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=CC(=C2)C3=CC=CC=C3)SC1=CC4=[N+](C5=C(S4)C=CC(=C5)C6=CC=CC=C6)C)S(=O)(=O)O

Isomeric SMILES

CC(CN\1C2=C(C=CC(=C2)C3=CC=CC=C3)S/C1=C/C4=[N+](C5=C(S4)C=CC(=C5)C6=CC=CC=C6)C)S(=O)(=O)O

InChI

InChI=1S/C31H26N2O3S3/c1-21(39(34,35)36)20-33-27-18-25(23-11-7-4-8-12-23)14-16-29(27)38-31(33)19-30-32(2)26-17-24(13-15-28(26)37-30)22-9-5-3-6-10-22/h3-19,21H,20H2,1-2H3/p+1