4-[(2Z)-5-phenyl-2-[[1-[1-(trioxidanylsulfanyl)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butyl hydrogen sulfite

Systemtic Name: 4-[(2Z)-5-phenyl-2-[[1-[1-(trioxidanylsulfanyl)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butyl hydrogen sulfite Openeye Name: 4-[(2Z)-5-phenyl-2-[[1-[1-(trioxidanylsulfanyl)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylene]-1,3-benzoxazol-3-yl]butyl hydrogen sulfite CAS Name: 1-[2-[(Z)-[5-phenyl-3-(4-sulfinooxybutyl)-1,3-benzoxazol-2-ylidene]methyl]-1-benzo[e][1,3]benzothiazol-1-iumyl]-1-propanesulfenic acid IUPAC Name: 4-[(2Z)-5-phenyl-2-[[1-[1-(trioxidanylsulfanyl)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butyl hydrogen sulfite Traditional Name: sulfurous acid 4-[(2Z)-5-phenyl-2-[[1-[1-(trioxidanylthio)propyl]benzo[e][1,3]benzothiazol-1-ium-2-yl]methylene]-1,3-benzoxazol-3-yl]butyl ester Formula: C32H31N2O7S3+ MolecularWeight: 651.79274

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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)C6=CC=CC=C6)CCCCOS(=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)C6=CC=CC=C6)CCCCOS(=O)O)SOOO

InChI

InChI=1S/C32H30N2O7S3/c1-2-30(43-41-40-35)34-31(42-28-17-15-23-12-6-7-13-25(23)32(28)34)21-29-33(18-8-9-19-38-44(36)37)26-20-24(14-16-27(26)39-29)22-10-4-3-5-11-22/h3-7,10-17,20-21,30H,2,8-9,18-19H2,1H3,(H-,35,36,37)/p+1