3-[2-[(E)-2-(2-phenyl-1H-indol-3-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[(E)-2-(2-phenyl-1H-indol-3-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(E)-2-(2-phenyl-1H-indol-3-yl)vinyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(E)-2-(2-phenyl-1H-indol-3-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(E)-2-(2-phenyl-1H-indol-3-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(E)-2-(2-phenyl-1H-indol-3-yl)vinyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Formula: C26H23N2O3S2+ MolecularWeight: 475.60242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=CC4=[N+](C5=CC=CC=C5S4)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/C4=[N+](C5=CC=CC=C5S4)CCCS(=O)(=O)O

InChI

InChI=1S/C26H22N2O3S2/c29-33(30,31)18-8-17-28-23-13-6-7-14-24(23)32-25(28)16-15-21-20-11-4-5-12-22(20)27-26(21)19-9-2-1-3-10-19/h1-7,9-16H,8,17-18H2,(H,29,30,31)/p+1