3-methyl-16-oxidanylidene-16-[[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]hexadecanoic acid

Systemtic Name: 3-methyl-16-oxidanylidene-16-[[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]hexadecanoic acid Openeye Name: 16-[2-(4-hydroxy-4-oxo-butoxy)anilino]-3-methyl-16-oxo-hexadecanoic acid CAS Name: 16-[2-(4-hydroxy-4-oxobutoxy)anilino]-3-methyl-16-oxohexadecanoic acid IUPAC Name: 16-[2-(4-hydroxy-4-oxobutoxy)anilino]-3-methyl-16-oxohexadecanoic acid Traditional Name: 16-[2-(4-hydroxy-4-keto-butoxy)anilino]-16-keto-3-methyl-palmitic acid Formula: C27H43NO6 MolecularWeight: 477.63342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O)CC(=O)O

InChI

InChI=1S/C27H43NO6/c1-22(21-27(32)33)15-10-8-6-4-2-3-5-7-9-11-18-25(29)28-23-16-12-13-17-24(23)34-20-14-19-26(30)31/h12-13,16-17,22H,2-11,14-15,18-21H2,1H3,(H,28,29)(H,30,31)(H,32,33)