8-oxidanylidene-8-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]octanoic acid

Systemtic Name: 8-oxidanylidene-8-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]octanoic acid Openeye Name: 8-[2-(4-hydroxy-4-oxo-butyl)sulfanylanilino]-8-oxo-octanoic acid CAS Name: 8-[2-[(4-hydroxy-4-oxobutyl)thio]anilino]-8-oxooctanoic acid IUPAC Name: 8-[2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-8-oxooctanoic acid Traditional Name: 8-[2-[(4-hydroxy-4-keto-butyl)thio]anilino]-8-keto-caprylic acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5S/c20-16(10-3-1-2-4-11-17(21)22)19-14-8-5-6-9-15(14)25-13-7-12-18(23)24/h5-6,8-9H,1-4,7,10-13H2,(H,19,20)(H,21,22)(H,23,24)