10-[[2-(2-ethoxy-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-10-oxidanylidene-decanoic acid

Systemtic Name: 10-[[2-(2-ethoxy-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]-10-oxidanylidene-decanoic acid Openeye Name: 10-[2-(2-ethoxy-4-hydroxy-4-oxo-butyl)sulfanylanilino]-10-oxo-decanoic acid CAS Name: 10-[2-[(2-ethoxy-4-hydroxy-4-oxobutyl)thio]anilino]-10-oxodecanoic acid IUPAC Name: 10-[2-(2-ethoxy-4-hydroxy-4-oxobutyl)sulfanylanilino]-10-oxodecanoic acid Traditional Name: 10-[2-[(2-ethoxy-4-hydroxy-4-keto-butyl)thio]anilino]-10-keto-capric acid Formula: C22H33NO6S MolecularWeight: 439.56552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(=O)O)CSC1=CC=CC=C1NC(=O)CCCCCCCCC(=O)O

Isomeric SMILES

CCOC(CC(=O)O)CSC1=CC=CC=C1NC(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C22H33NO6S/c1-2-29-17(15-22(27)28)16-30-19-12-10-9-11-18(19)23-20(24)13-7-5-3-4-6-8-14-21(25)26/h9-12,17H,2-8,13-16H2,1H3,(H,23,24)(H,25,26)(H,27,28)