12-oxidanylidene-12-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]dodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butyl)sulfanylanilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-[(4-hydroxy-4-oxobutyl)thio]anilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-12-oxododecanoic acid Traditional Name: 12-[2-[(4-hydroxy-4-keto-butyl)thio]anilino]-12-keto-lauric acid Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5S/c24-20(14-7-5-3-1-2-4-6-8-15-21(25)26)23-18-12-9-10-13-19(18)29-17-11-16-22(27)28/h9-10,12-13H,1-8,11,14-17H2,(H,23,24)(H,25,26)(H,27,28)