3-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]benzothiazol-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C23H21N2O3S3+ MolecularWeight: 469.61944

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C4N(C5=CC=CC=C5S4)CCCS(=O)(=O)O

Isomeric SMILES

C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C\4/N(C5=CC=CC=C5S4)CCCS(=O)(=O)O

InChI

InChI=1S/C23H20N2O3S3/c1-24-21(30-20-12-11-16-7-2-3-8-17(16)23(20)24)15-22-25(13-6-14-31(26,27)28)18-9-4-5-10-19(18)29-22/h2-5,7-12,15H,6,13-14H2,1H3/p+1