1-(3H-1,2-benzothiazol-2-yl)cyclooctane-1,2-diolate

Systemtic Name: 1-(3H-1,2-benzothiazol-2-yl)cyclooctane-1,2-diolate Openeye Name: 1-(3H-1,2-benzothiazol-2-yl)cyclooctane-1,2-diolate CAS Name: 1-(3H-1,2-benzothiazol-2-yl)cyclooctane-1,2-diolate IUPAC Name: 1-(3H-1,2-benzothiazol-2-yl)cyclooctane-1,2-diolate Traditional Name: 1-(3H-1,2-benzothiazol-2-yl)cyclooctane-1,2-diolate Formula: C15H19NO2S-2 MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(C(CC1)[O-])(N2CC3=CC=CC=C3S2)[O-]

Isomeric SMILES

C1CCCC(C(CC1)[O-])(N2CC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C15H19NO2S/c17-14-9-3-1-2-6-10-15(14,18)16-11-12-7-4-5-8-13(12)19-16/h4-5,7-8,14H,1-3,6,9-11H2/q-2