11-[[2-(2-methyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-11-oxidanylidene-undecanoic acid

Systemtic Name: 11-[[2-(2-methyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-11-oxidanylidene-undecanoic acid Openeye Name: 11-[2-(4-hydroxy-2-methyl-4-oxo-butyl)sulfanylanilino]-11-oxo-undecanoic acid CAS Name: 11-[2-[(4-hydroxy-2-methyl-4-oxobutyl)thio]anilino]-11-oxoundecanoic acid IUPAC Name: 11-[2-(4-hydroxy-2-methyl-4-oxobutyl)sulfanylanilino]-11-oxoundecanoic acid Traditional Name: 11-[2-[(4-hydroxy-4-keto-2-methyl-butyl)thio]anilino]-11-keto-undecanoic acid Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)CSC1=CC=CC=C1NC(=O)CCCCCCCCCC(=O)O

Isomeric SMILES

CC(CC(=O)O)CSC1=CC=CC=C1NC(=O)CCCCCCCCCC(=O)O

InChI

InChI=1S/C22H33NO5S/c1-17(15-22(27)28)16-29-19-12-10-9-11-18(19)23-20(24)13-7-5-3-2-4-6-8-14-21(25)26/h9-12,17H,2-8,13-16H2,1H3,(H,23,24)(H,25,26)(H,27,28)