1-[(2E)-3-ethyl-2-[(E)-3-[3-ethyl-6-(1-oxidanylbutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-6-yl]butan-1-ol

Systemtic Name: 1-[(2E)-3-ethyl-2-[(E)-3-[3-ethyl-6-(1-oxidanylbutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-6-yl]butan-1-ol Openeye Name: 1-[(2E)-3-ethyl-2-[(E)-3-[3-ethyl-6-(1-hydroxybutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-6-yl]butan-1-ol CAS Name: 1-[(2E)-3-ethyl-2-[(E)-3-[3-ethyl-6-(1-hydroxybutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-6-yl]-1-butanol IUPAC Name: 1-[(2E)-3-ethyl-2-[(E)-3-[3-ethyl-6-(1-hydroxybutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-6-yl]butan-1-ol Traditional Name: 1-[(2E)-3-ethyl-2-[(E)-3-[3-ethyl-6-(1-hydroxybutyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-6-yl]butan-1-ol Formula: C29H37N2O2S2+ MolecularWeight: 509.74628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)N(C(=CC=CC3=[N+](C4=C(S3)C=C(C=C4)C(CCC)O)CC)S2)CC)O

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)N(/C(=C\C=C\C3=[N+](C4=C(S3)C=C(C=C4)C(CCC)O)CC)/S2)CC)O

InChI

InChI=1S/C29H37N2O2S2/c1-5-10-24(32)20-14-16-22-26(18-20)34-28(30(22)7-3)12-9-13-29-31(8-4)23-17-15-21(19-27(23)35-29)25(33)11-6-2/h9,12-19,24-25,32-33H,5-8,10-11H2,1-4H3/q+1