(1R,2R,3S,4S)-3-sulfanylcarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: (1R,2R,3S,4S)-3-sulfanylcarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: (1R,2R,3S,4S)-3-sulfanylcarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: (1R,2R,3S,4S)-3-[mercapto(oxo)methyl]-2-bicyclo[2.2.1]hept-5-enecarboxylate IUPAC Name: (1R,2R,3S,4S)-3-sulfanylcarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: (1R,2R,3S,4S)-3-thiocarboxybicyclo[2.2.1]hept-5-ene-2-carboxylate Formula: C9H9O3S- MolecularWeight: 197.23096

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1C(C2C(=O)[O-])C(=O)S

Isomeric SMILES

C1[C@@H]2C=C[C@H]1[C@@H]([C@@H]2C(=O)[O-])C(=O)S

InChI

InChI=1S/C9H10O3S/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/p-1/t4-,5+,6+,7-/m0/s1