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

Systemtic Name: 1-(3H-1,2-benzothiazol-2-yl)cyclononane-1,2-diolate Openeye Name: 1-(3H-1,2-benzothiazol-2-yl)cyclononane-1,2-diolate CAS Name: 1-(3H-1,2-benzothiazol-2-yl)cyclononane-1,2-diolate IUPAC Name: 1-(3H-1,2-benzothiazol-2-yl)cyclononane-1,2-diolate Traditional Name: 1-(3H-1,2-benzothiazol-2-yl)cyclononane-1,2-diolate Formula: C16H21NO2S-2 MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(C(CCC1)(N2CC3=CC=CC=C3S2)[O-])[O-]

Isomeric SMILES

C1CCCC(C(CCC1)(N2CC3=CC=CC=C3S2)[O-])[O-]

InChI

InChI=1S/C16H21NO2S/c18-15-10-4-2-1-3-7-11-16(15,19)17-12-13-8-5-6-9-14(13)20-17/h5-6,8-9,15H,1-4,7,10-12H2/q-2