3-hexadecyl-1,3-benzothiazol-3-ium-5,6-diol

Systemtic Name: 3-hexadecyl-1,3-benzothiazol-3-ium-5,6-diol Openeye Name: 3-hexadecyl-1,3-benzothiazol-3-ium-5,6-diol CAS Name: 3-hexadecyl-1,3-benzothiazol-3-ium-5,6-diol IUPAC Name: 3-hexadecyl-1,3-benzothiazol-3-ium-5,6-diol Traditional Name: 3-cetyl-1,3-benzothiazol-3-ium-5,6-diol Formula: C23H38NO2S+ MolecularWeight: 392.61832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CSC2=CC(=C(C=C21)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CSC2=CC(=C(C=C21)O)O

InChI

InChI=1S/C23H37NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-19-27-23-18-22(26)21(25)17-20(23)24/h17-19H,2-16H2,1H3,(H-,25,26)/p+1