18-oxidanylidene-18-[[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]octadecanoic acid

Systemtic Name: 18-oxidanylidene-18-[[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]octadecanoic acid Openeye Name: 18-[2-(4-hydroxy-4-oxo-butoxy)anilino]-18-oxo-octadecanoic acid CAS Name: 18-[2-(4-hydroxy-4-oxobutoxy)anilino]-18-oxooctadecanoic acid IUPAC Name: 18-[2-(4-hydroxy-4-oxobutoxy)anilino]-18-oxooctadecanoic acid Traditional Name: 18-[2-(4-hydroxy-4-keto-butoxy)anilino]-18-keto-stearic acid Formula: C28H45NO6 MolecularWeight: 491.66

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C28H45NO6/c30-26(29-24-18-15-16-19-25(24)35-23-17-22-28(33)34)20-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-27(31)32/h15-16,18-19H,1-14,17,20-23H2,(H,29,30)(H,31,32)(H,33,34)