3-[2-[2-[[5-methoxy-1-(3-sulfopropyl)thieno[2,3-e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[2-[[5-methoxy-1-(3-sulfopropyl)thieno[2,3-e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[2-[[5-methoxy-1-(3-sulfopropyl)thieno[2,3-e][1,3]benzothiazol-1-ium-2-yl]methylene]butylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[2-[2-[[5-methoxy-1-(3-sulfopropyl)-2-thieno[2,3-e][1,3]benzothiazol-1-iumyl]methylidene]butylidene]-5-phenyl-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[2-[[5-methoxy-1-(3-sulfopropyl)thieno[2,3-e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[2-ethyl-3-[5-methoxy-1-(3-sulfopropyl)thieno[2,3-e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C34H34N2O7S5 MolecularWeight: 742.96796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)O)C=C4N(C5=C(S4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCC(=CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)O)C=C4N(C5=C(S4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C34H34N2O7S5/c1-3-23(20-32-36(15-8-18-48(40,41)42)33-30(46-32)22-28(43-2)26-13-16-44-34(26)33)19-31-35(14-7-17-47(37,38)39)27-21-25(11-12-29(27)45-31)24-9-5-4-6-10-24/h4-6,9-13,16,19-22H,3,7-8,14-15,17-18H2,1-2H3,(H-,37,38,39,40,41,42)