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

Systemtic Name: 3-[(2Z)-2-[(E)-2-methyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-[(E)-2-methyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-[(E)-2-methyl-3-[1-(3-sulfopropyl)-2-benzo[e][1,3]benzothiazol-1-iumyl]prop-2-enylidene]-1-benzo[e][1,3]benzothiazolyl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-[(E)-2-methyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-[(E)-2-methyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid Formula: C32H31N2O6S4+ MolecularWeight: 667.85834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H30N2O6S4/c1-22(20-29-33(16-6-18-43(35,36)37)31-25-10-4-2-8-23(25)12-14-27(31)41-29)21-30-34(17-7-19-44(38,39)40)32-26-11-5-3-9-24(26)13-15-28(32)42-30/h2-5,8-15,20-21H,6-7,16-19H2,1H3,(H-,35,36,37,38,39,40)/p+1