13-[[2-(2-methyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-13-oxidanylidene-tridecanoic acid

Systemtic Name: 13-[[2-(2-methyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-13-oxidanylidene-tridecanoic acid Openeye Name: 13-[2-(4-hydroxy-2-methyl-4-oxo-butyl)sulfanylanilino]-13-oxo-tridecanoic acid CAS Name: 13-[2-[(4-hydroxy-2-methyl-4-oxobutyl)thio]anilino]-13-oxotridecanoic acid IUPAC Name: 13-[2-(4-hydroxy-2-methyl-4-oxobutyl)sulfanylanilino]-13-oxotridecanoic acid Traditional Name: 13-[2-[(4-hydroxy-4-keto-2-methyl-butyl)thio]anilino]-13-keto-tridecanoic acid Formula: C24H37NO5S MolecularWeight: 451.61928

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)CSC1=CC=CC=C1NC(=O)CCCCCCCCCCCC(=O)O

Isomeric SMILES

CC(CC(=O)O)CSC1=CC=CC=C1NC(=O)CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C24H37NO5S/c1-19(17-24(29)30)18-31-21-14-12-11-13-20(21)25-22(26)15-9-7-5-3-2-4-6-8-10-16-23(27)28/h11-14,19H,2-10,15-18H2,1H3,(H,25,26)(H,27,28)(H,29,30)