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

Systemtic Name: 3-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Formula: C18H17N2O3S3+ MolecularWeight: 405.53418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)O)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\C3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)O)/S2

InChI

InChI=1S/C18H16N2O3S3/c21-26(22,23)11-5-10-20-14-7-2-4-9-16(14)25-18(20)12-17-19-13-6-1-3-8-15(13)24-17/h1-4,6-9,12H,5,10-11H2,(H,21,22,23)/p+1