4-[(E)-2-(3-dodecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-octadecyl-aniline iodide

Systemtic Name: 4-[(E)-2-(3-dodecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-octadecyl-aniline iodide Openeye Name: 4-[(E)-2-(3-dodecyl-2H-1,3-benzothiazol-2-yl)vinyl]-N-octadecyl-aniline iodide CAS Name: 4-[(E)-2-(3-dodecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-octadecylaniline iodide IUPAC Name: 4-[(E)-2-(3-dodecyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N-octadecylaniline iodide Traditional Name: [4-[(E)-2-(3-lauryl-2H-1,3-benzothiazol-2-yl)vinyl]phenyl]-stearyl-amine iodide Formula: C45H74IN2S- MolecularWeight: 802.05193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C=CC2N(C3=CC=CC=C3S2)CCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)/C=C/C2N(C3=CC=CC=C3S2)CCCCCCCCCCCC.[I-]

InChI

InChI=1S/C45H74N2S.HI/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-29-39-46-42-36-33-41(34-37-42)35-38-45-47(43-31-27-28-32-44(43)48-45)40-30-26-24-22-14-12-10-8-6-4-2;/h27-28,31-38,45-46H,3-26,29-30,39-40H2,1-2H3;1H/p-1/b38-35+;