3-[2-[(Z)-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(Z)-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(Z)-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(Z)-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(Z)-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(Z)-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C20H20N2O4S3 MolecularWeight: 448.5788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)OC)SC1=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-]

Isomeric SMILES

CN\1C2=C(C=CC(=C2)OC)S/C1=C\C3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C20H20N2O4S3/c1-21-16-12-14(26-2)8-9-18(16)27-19(21)13-20-22(10-5-11-29(23,24)25)15-6-3-4-7-17(15)28-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3