7-oxidanylidene-7-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]heptanoic acid

Systemtic Name: 7-oxidanylidene-7-[[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]amino]heptanoic acid Openeye Name: 7-[2-(4-hydroxy-4-oxo-butyl)sulfanylanilino]-7-oxo-heptanoic acid CAS Name: 7-[2-[(4-hydroxy-4-oxobutyl)thio]anilino]-7-oxoheptanoic acid IUPAC Name: 7-[2-(4-hydroxy-4-oxobutyl)sulfanylanilino]-7-oxoheptanoic acid Traditional Name: 7-[2-[(4-hydroxy-4-keto-butyl)thio]anilino]-7-keto-enanthic acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5S/c19-15(9-2-1-3-10-16(20)21)18-13-7-4-5-8-14(13)24-12-6-11-17(22)23/h4-5,7-8H,1-3,6,9-12H2,(H,18,19)(H,20,21)(H,22,23)