10-oxidanylidene-10-[[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenyl]amino]decanoic acid

Systemtic Name: 10-oxidanylidene-10-[[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenyl]amino]decanoic acid Openeye Name: 10-[2-(5-hydroxy-5-oxo-pentyl)sulfanylanilino]-10-oxo-decanoic acid CAS Name: 10-[2-[(5-hydroxy-5-oxopentyl)thio]anilino]-10-oxodecanoic acid IUPAC Name: 10-[2-(5-hydroxy-5-oxopentyl)sulfanylanilino]-10-oxodecanoic acid Traditional Name: 10-[2-[(5-hydroxy-5-keto-pentyl)thio]anilino]-10-keto-capric acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5S/c23-19(13-5-3-1-2-4-6-14-20(24)25)22-17-11-7-8-12-18(17)28-16-10-9-15-21(26)27/h7-8,11-12H,1-6,9-10,13-16H2,(H,22,23)(H,24,25)(H,26,27)