3-[2-[5-methoxy-2-[3-[5-methoxy-3-[2-(3-sulfonatopropoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]ethoxy]propane-1-sulfonate

Systemtic Name: 3-[2-[5-methoxy-2-[3-[5-methoxy-3-[2-(3-sulfonatopropoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]ethoxy]propane-1-sulfonate Openeye Name: 3-[2-[5-methoxy-2-[3-[5-methoxy-3-[2-(3-sulfonatopropoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]ethoxy]propane-1-sulfonate CAS Name: 3-[2-[5-methoxy-2-[3-[5-methoxy-3-[2-(3-sulfonatopropoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]ethoxy]-1-propanesulfonate IUPAC Name: 3-[2-[5-methoxy-2-[3-[5-methoxy-3-[2-(3-sulfonatopropoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]ethoxy]propane-1-sulfonate Traditional Name: 3-[2-[5-methoxy-2-[3-[5-methoxy-3-[2-(3-sulfonatopropoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]ethoxy]propane-1-sulfonate Formula: C29H35N2O10S4- MolecularWeight: 699.8556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=CC=CC3=[N+](C4=C(S3)C=CC(=C4)OC)CCOCCCS(=O)(=O)[O-])N2CCOCCCS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=CC=CC3=[N+](C4=C(S3)C=CC(=C4)OC)CCOCCCS(=O)(=O)[O-])N2CCOCCCS(=O)(=O)[O-]

InChI

InChI=1S/C29H36N2O10S4/c1-38-22-8-10-26-24(20-22)30(12-16-40-14-4-18-44(32,33)34)28(42-26)6-3-7-29-31(13-17-41-15-5-19-45(35,36)37)25-21-23(39-2)9-11-27(25)43-29/h3,6-11,20-21H,4-5,12-19H2,1-2H3,(H-,32,33,34,35,36,37)/p-1