3-[(2Z)-2-[(2E)-2-[[3-(3-sulfopropyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]methylidene]butylidene]benzo[g][1,3]benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-[(2E)-2-[[3-(3-sulfopropyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]methylidene]butylidene]benzo[g][1,3]benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-[(2E)-2-[[3-(3-sulfopropyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]methylene]butylidene]benzo[g][1,3]benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-[(2E)-2-[[3-(3-sulfopropyl)-2-benzo[g][1,3]benzothiazol-3-iumyl]methylidene]butylidene]-3-benzo[g][1,3]benzothiazolyl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-[(2E)-2-[[3-(3-sulfopropyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]methylidene]butylidene]benzo[g][1,3]benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-[(E)-2-ethyl-3-[3-(3-sulfopropyl)benzo[g][1,3]benzothiazol-3-ium-2-yl]prop-2-enylidene]benzo[g][1,3]benzothiazol-3-yl]propane-1-sulfonic acid Formula: C33H33N2O6S4+ MolecularWeight: 681.88492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C3=CC=CC=C3C=C2)CCCS(=O)(=O)O)C=C4N(C5=C(S4)C6=CC=CC=C6C=C5)CCCS(=O)(=O)O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C3=CC=CC=C3C=C2)CCCS(=O)(=O)O)/C=C\4/N(C5=C(S4)C6=CC=CC=C6C=C5)CCCS(=O)(=O)O

InChI

InChI=1S/C33H32N2O6S4/c1-2-23(21-30-34(17-7-19-44(36,37)38)28-15-13-24-9-3-5-11-26(24)32(28)42-30)22-31-35(18-8-20-45(39,40)41)29-16-14-25-10-4-6-12-27(25)33(29)43-31/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41)/p+1