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

Systemtic Name: N-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline perchlorate Openeye Name: N-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)vinyl]aniline perchlorate CAS Name: N-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline perchlorate IUPAC Name: N-[(E)-2-(3-octadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline perchlorate Traditional Name: phenyl-[(E)-2-(3-stearyl-2H-1,3-benzothiazol-2-yl)vinyl]amine perchlorate Formula: C33H50ClN2O4S- MolecularWeight: 606.2791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(SC2=CC=CC=C21)C=CNC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(SC2=CC=CC=C21)/C=C/NC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H50N2S.ClHO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-35-31-25-20-21-26-32(31)36-33(35)27-28-34-30-23-18-17-19-24-30;2-1(3,4)5/h17-21,23-28,33-34H,2-16,22,29H2,1H3;(H,2,3,4,5)/p-1/b28-27+;