19-oxidanylidene-19-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]nonadecanoic acid

Systemtic Name: 19-oxidanylidene-19-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]nonadecanoic acid Openeye Name: 19-[2-(4-hydroxy-4-oxo-butyl)sulfanylanilino]-19-oxo-nonadecanoic acid CAS Name: 19-[2-[(4-hydroxy-4-oxobutyl)thio]anilino]-19-oxononadecanoic acid IUPAC Name: 19-[2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-19-oxononadecanoic acid Traditional Name: 19-[2-[(4-hydroxy-4-keto-butyl)thio]anilino]-19-keto-nonadecanoic acid Formula: C29H47NO5S MolecularWeight: 521.75218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C29H47NO5S/c31-27(30-25-19-16-17-20-26(25)36-24-18-23-29(34)35)21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-22-28(32)33/h16-17,19-20H,1-15,18,21-24H2,(H,30,31)(H,32,33)(H,34,35)