3-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-2-[(1-ethyl-2-benzo[e][1,3]benzothiazol-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C24H22N2O3S3 MolecularWeight: 482.63808

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C4N(C5=CC=CC=C5S4)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C\4/N(C5=CC=CC=C5S4)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C24H22N2O3S3/c1-2-25-22(31-21-13-12-17-8-3-4-9-18(17)24(21)25)16-23-26(14-7-15-32(27,28)29)19-10-5-6-11-20(19)30-23/h3-6,8-13,16H,2,7,14-15H2,1H3