12-oxidanylidene-12-[[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenyl]amino]dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-[[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenyl]amino]dodecanoic acid Openeye Name: 12-[2-(5-hydroxy-5-oxo-pentyl)sulfanylanilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-[(5-hydroxy-5-oxopentyl)thio]anilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(5-hydroxy-5-oxopentyl)sulfanylanilino]-12-oxododecanoic acid Traditional Name: 12-[2-[(5-hydroxy-5-keto-pentyl)thio]anilino]-12-keto-lauric acid Formula: C23H35NO5S MolecularWeight: 437.5927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO5S/c25-21(15-7-5-3-1-2-4-6-8-16-22(26)27)24-19-13-9-10-14-20(19)30-18-12-11-17-23(28)29/h9-10,13-14H,1-8,11-12,15-18H2,(H,24,25)(H,26,27)(H,28,29)