3-[(2E)-2-[(E)-2-methyl-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid iodide

Systemtic Name: 3-[(2E)-2-[(E)-2-methyl-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid iodide Openeye Name: 3-[(2E)-2-[(E)-2-methyl-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid iodide CAS Name: 3-[(2E)-2-[(E)-2-methyl-3-(1-methyl-2-benzo[e][1,3]benzothiazol-1-iumyl)prop-2-enylidene]-1-benzo[e][1,3]benzothiazolyl]-1-propanesulfonic acid iodide IUPAC Name: 3-[(2E)-2-[(E)-2-methyl-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid iodide Traditional Name: 3-[(2E)-2-[(E)-2-methyl-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid iodide Formula: C30H27IN2O3S3 MolecularWeight: 686.64645

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)O.[I-]

Isomeric SMILES

C/C(=C\C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)/C=C/4\N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)O.[I-]

InChI

InChI=1S/C30H26N2O3S3.HI/c1-20(18-27-31(2)29-23-10-5-3-8-21(23)12-14-25(29)36-27)19-28-32(16-7-17-38(33,34)35)30-24-11-6-4-9-22(24)13-15-26(30)37-28;/h3-6,8-15,18-19H,7,16-17H2,1-2H3;1H