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

Systemtic Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethane-1,1-disulfonic acid Openeye Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethane-1,1-disulfonic acid CAS Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethane-1,1-disulfonic acid IUPAC Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethane-1,1-disulfonic acid Traditional Name: 2-[2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-1,3-benzothiazol-3-ium-3-yl]ethane-1,1-disulfonic acid Formula: C17H15N2O6S4+ MolecularWeight: 471.5708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6S4/c20-28(21,22)17(29(23,24)25)10-19-12-6-2-4-8-14(12)27-16(19)9-15-18-11-5-1-3-7-13(11)26-15/h1-9,17H,10H2,(H2,20,21,22,23,24,25)/p+1