1,3-benzothiazol-3-ium; 1-iodanyloctadecane

Systemtic Name: 1,3-benzothiazol-3-ium; 1-iodanyloctadecane Openeye Name: 1,3-benzothiazol-3-ium; 1-iodooctadecane CAS Name: 1,3-benzothiazol-3-ium; 1-iodooctadecane IUPAC Name: 1,3-benzothiazol-3-ium; 1-iodooctadecane Traditional Name: 1,3-benzothiazol-3-ium; 1-iodooctadecane Formula: C25H43INS+ MolecularWeight: 516.58509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCI.C1=CC=C2C(=C1)[NH+]=CS2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCI.C1=CC=C2C(=C1)[NH+]=CS2

InChI

InChI=1S/C18H37I.C7H5NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-4-7-6(3-1)8-5-9-7/h2-18H2,1H3;1-5H/p+1