6-[6-(cyanoamino)-5,5-dimethyl-6-oxidanylidene-hexyl]sulfanyl-2,2-dimethyl-hexanoic acid

Systemtic Name: 6-[6-(cyanoamino)-5,5-dimethyl-6-oxidanylidene-hexyl]sulfanyl-2,2-dimethyl-hexanoic acid Openeye Name: 6-[6-(cyanoamino)-5,5-dimethyl-6-oxo-hexyl]sulfanyl-2,2-dimethyl-hexanoic acid CAS Name: 6-[[6-(cyanoamino)-5,5-dimethyl-6-oxohexyl]thio]-2,2-dimethylhexanoic acid IUPAC Name: 6-[6-(cyanoamino)-5,5-dimethyl-6-oxohexyl]sulfanyl-2,2-dimethylhexanoic acid Traditional Name: 6-[[6-(cyanoamino)-6-keto-5,5-dimethyl-hexyl]thio]-2,2-dimethyl-hexanoic acid Formula: C17H30N2O3S MolecularWeight: 342.4967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCSCCCCC(C)(C)C(=O)O)C(=O)NC#N

Isomeric SMILES

CC(C)(CCCCSCCCCC(C)(C)C(=O)O)C(=O)NC#N

InChI

InChI=1S/C17H30N2O3S/c1-16(2,14(20)19-13-18)9-5-7-11-23-12-8-6-10-17(3,4)15(21)22/h5-12H2,1-4H3,(H,19,20)(H,21,22)