12-[[2-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylphenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[2-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylphenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[2-(3-hydroxy-2-methyl-3-oxo-propyl)sulfanylanilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-[(3-hydroxy-2-methyl-3-oxopropyl)thio]anilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(3-hydroxy-2-methyl-3-oxopropyl)sulfanylanilino]-12-oxododecanoic acid Traditional Name: 12-[2-[(3-hydroxy-3-keto-2-methyl-propyl)thio]anilino]-12-keto-lauric acid Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1NC(=O)CCCCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CC(CSC1=CC=CC=C1NC(=O)CCCCCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C22H33NO5S/c1-17(22(27)28)16-29-19-13-11-10-12-18(19)23-20(24)14-8-6-4-2-3-5-7-9-15-21(25)26/h10-13,17H,2-9,14-16H2,1H3,(H,23,24)(H,25,26)(H,27,28)