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

Systemtic Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid hydroxide Openeye Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid hydroxide CAS Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid hydroxide IUPAC Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid hydroxide Traditional Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethanesulfonic acid hydroxide Formula: C17H16N2O4S3 MolecularWeight: 408.51494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC3=[N+](C4=CC=CC=C4S3)CCS(=O)(=O)O)S2.[OH-]

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\C3=[N+](C4=CC=CC=C4S3)CCS(=O)(=O)O)/S2.[OH-]

InChI

InChI=1S/C17H14N2O3S3.H2O/c20-25(21,22)10-9-19-13-6-2-4-8-15(13)24-17(19)11-16-18-12-5-1-3-7-14(12)23-16;/h1-8,11H,9-10H2,(H,20,21,22);1H2