3-[(2Z)-5-bromanyl-2-[[1-[1-(trioxidanylsulfanyl)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]propyl hydrogen sulfite

Systemtic Name: 3-[(2Z)-5-bromanyl-2-[[1-[1-(trioxidanylsulfanyl)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]propyl hydrogen sulfite Openeye Name: 3-[(2Z)-5-bromo-2-[[1-[1-(trioxidanylsulfanyl)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylene]-1,3-benzoxazol-3-yl]propyl hydrogen sulfite CAS Name: 1-[2-[(Z)-[5-bromo-3-(3-sulfinooxypropyl)-1,3-benzoxazol-2-ylidene]methyl]-1-benzo[e][1,3]benzothiazol-1-iumyl]-1-propanesulfenic acid IUPAC Name: 3-[(2Z)-5-bromo-2-[[1-[1-(trioxidanylsulfanyl)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]propyl hydrogen sulfite Traditional Name: sulfurous acid 3-[(2Z)-5-bromo-2-[[1-[1-(trioxidanylthio)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylene]-1,3-benzoxazol-3-yl]propyl ester Formula: C25H24BrN2O7S3+ MolecularWeight: 640.56626

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C4N(C5=C(O4)C=CC(=C5)Br)CCCOS(=O)O)SOOO

Isomeric SMILES

CCC([N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C\4/N(C5=C(O4)C=CC(=C5)Br)CCCOS(=O)O)SOOO

InChI

InChI=1S/C25H23BrN2O7S3/c1-2-23(37-35-34-29)28-24(36-21-11-8-16-6-3-4-7-18(16)25(21)28)15-22-27(12-5-13-32-38(30)31)19-14-17(26)9-10-20(19)33-22/h3-4,6-11,14-15,23H,2,5,12-13H2,1H3,(H-,29,30,31)/p+1