12-[[2-methylsulfonyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[2-methylsulfonyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butoxy)-6-methylsulfonyl-anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-(4-hydroxy-4-oxobutoxy)-6-methylsulfonylanilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutoxy)-6-methylsulfonylanilino]-12-oxododecanoic acid Traditional Name: 12-[2-(4-hydroxy-4-keto-butoxy)-6-mesyl-anilino]-12-keto-lauric acid Formula: C23H35NO8S MolecularWeight: 485.5909

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1NC(=O)CCCCCCCCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1NC(=O)CCCCCCCCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C23H35NO8S/c1-33(30,31)19-13-10-12-18(32-17-11-16-22(28)29)23(19)24-20(25)14-8-6-4-2-3-5-7-9-15-21(26)27/h10,12-13H,2-9,11,14-17H2,1H3,(H,24,25)(H,26,27)(H,28,29)