(5R,7R)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyladamantane-1-carboxylate

Systemtic Name: (5R,7R)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyladamantane-1-carboxylate Openeye Name: (5R,7R)-3-(2-oxido-2-oxo-ethyl)sulfanyladamantane-1-carboxylate CAS Name: (5R,7R)-3-[(2-oxido-2-oxoethyl)thio]-1-adamantanecarboxylate IUPAC Name: (5R,7R)-3-(2-oxido-2-oxoethyl)sulfanyladamantane-1-carboxylate Traditional Name: (5R,7R)-3-[(2-keto-2-oxido-ethyl)thio]adamantane-1-carboxylate Formula: C13H16O4S-2 MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)SCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H]1CC(C2)(C3)SCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H18O4S/c14-10(15)6-18-13-4-8-1-9(5-13)3-12(2-8,7-13)11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)/p-2/t8-,9-,12?,13?/m1/s1