3,3-dimethyl-4-oxidanylidene-1,2,5-dithiazocane-6-carboxylic acid

Systemtic Name: 3,3-dimethyl-4-oxidanylidene-1,2,5-dithiazocane-6-carboxylic acid Openeye Name: 3,3-dimethyl-4-oxo-1,2,5-dithiazocane-6-carboxylic acid CAS Name: 3,3-dimethyl-4-oxo-1,2,5-dithiazocane-6-carboxylic acid IUPAC Name: 3,3-dimethyl-4-oxo-1,2,5-dithiazocane-6-carboxylic acid Traditional Name: 4-keto-3,3-dimethyl-1,2,5-dithiazocane-6-carboxylic acid Formula: C8H13NO3S2 MolecularWeight: 235.32372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC(CCSS1)C(=O)O)C

Isomeric SMILES

CC1(C(=O)NC(CCSS1)C(=O)O)C

InChI

InChI=1S/C8H13NO3S2/c1-8(2)7(12)9-5(6(10)11)3-4-13-14-8/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)