13-[5-(dimethylamino)-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]tridecanoic acid

Systemtic Name: 13-[5-(dimethylamino)-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]tridecanoic acid Openeye Name: 13-[5-(dimethylamino)-2-(4-hydroxy-4-oxo-butoxy)phenoxy]tridecanoic acid CAS Name: 13-[5-(dimethylamino)-2-(4-hydroxy-4-oxobutoxy)phenoxy]tridecanoic acid IUPAC Name: 13-[5-(dimethylamino)-2-(4-hydroxy-4-oxobutoxy)phenoxy]tridecanoic acid Traditional Name: 13-[5-(dimethylamino)-2-(4-hydroxy-4-keto-butoxy)phenoxy]tridecanoic acid Formula: C25H41NO6 MolecularWeight: 451.59614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)OCCCC(=O)O)OCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)OCCCC(=O)O)OCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C25H41NO6/c1-26(2)21-16-17-22(31-19-13-15-25(29)30)23(20-21)32-18-12-10-8-6-4-3-5-7-9-11-14-24(27)28/h16-17,20H,3-15,18-19H2,1-2H3,(H,27,28)(H,29,30)