5-[6-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanylpyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[6-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanylpyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoic acid Openeye Name: 5-[6-(5-hydroxy-4,4-dimethyl-5-oxo-pentyl)sulfanylpyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoic acid CAS Name: 5-[[6-[(5-hydroxy-4,4-dimethyl-5-oxopentyl)thio]-3-pyridazinyl]thio]-2,2-dimethylpentanoic acid IUPAC Name: 5-[6-(5-hydroxy-4,4-dimethyl-5-oxopentyl)sulfanylpyridazin-3-yl]sulfanyl-2,2-dimethylpentanoic acid Traditional Name: 5-[[6-[(5-hydroxy-5-keto-4,4-dimethyl-pentyl)thio]pyridazin-3-yl]thio]-2,2-dimethyl-valeric acid Formula: C18H28N2O4S2 MolecularWeight: 400.55592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCSC1=NN=C(C=C1)SCCCC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCCSC1=NN=C(C=C1)SCCCC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H28N2O4S2/c1-17(2,15(21)22)9-5-11-25-13-7-8-14(20-19-13)26-12-6-10-18(3,4)16(23)24/h7-8H,5-6,9-12H2,1-4H3,(H,21,22)(H,23,24)