8-[2-(7-oxidanyl-7-oxidanylidene-heptoxy)phenoxy]octanoic acid

Systemtic Name: 8-[2-(7-oxidanyl-7-oxidanylidene-heptoxy)phenoxy]octanoic acid Openeye Name: 8-[2-(7-hydroxy-7-oxo-heptoxy)phenoxy]octanoic acid CAS Name: 8-[2-(7-hydroxy-7-oxoheptoxy)phenoxy]octanoic acid IUPAC Name: 8-[2-(7-hydroxy-7-oxoheptoxy)phenoxy]octanoic acid Traditional Name: 8-[2-(7-hydroxy-7-keto-heptoxy)phenoxy]caprylic acid Formula: C21H32O6 MolecularWeight: 380.47518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCCCCC(=O)O)OCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCCCCC(=O)O)OCCCCCCC(=O)O

InChI

InChI=1S/C21H32O6/c22-20(23)14-6-2-1-4-10-16-26-18-12-8-9-13-19(18)27-17-11-5-3-7-15-21(24)25/h8-9,12-13H,1-7,10-11,14-17H2,(H,22,23)(H,24,25)