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(1S)-1-(3H-1,2-benzothiazol-2-yl)cycloheptane-1,2-diolate

(1S)-1-(3H-1,2-benzothiazol-2-yl)cycloheptane-1,2-diolate

Systemtic Name:(1S)-1-(3H-1,2-benzothiazol-2-yl)cycloheptane-1,2-diolate
Openeye Name:(1S)-1-(3H-1,2-benzothiazol-2-yl)cycloheptane-1,2-diolate
CAS Name:(1S)-1-(3H-1,2-benzothiazol-2-yl)cycloheptane-1,2-diolate
IUPAC Name:(1S)-1-(3H-1,2-benzothiazol-2-yl)cycloheptane-1,2-diolate
Traditional Name:(1S)-1-(3H-1,2-benzothiazol-2-yl)cycloheptane-1,2-diolate
Formula: C14H17NO2S-2
MolecularWeight: 263.35528
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)(N2CC3=CC=CC=C3S2)[O-])[O-]


Isomeric SMILES

C1CCC([C@@](CC1)(N2CC3=CC=CC=C3S2)[O-])[O-]


InChI

InChI=1S/C14H17NO2S/c16-13-8-2-1-5-9-14(13,17)15-10-11-6-3-4-7-12(11)18-15/h3-4,6-7,13H,1-2,5,8-10H2/q-2/t13?,14-/m0/s1


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