2-[4-[3-chloranyl-4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)oxy-phenoxy]phenoxy]octanoic acid

Systemtic Name: 2-[4-[3-chloranyl-4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)oxy-phenoxy]phenoxy]octanoic acid Openeye Name: 2-[4-[4-(1-carboxyheptoxy)-3-chloro-phenoxy]phenoxy]octanoic acid CAS Name: 2-[4-[3-chloro-4-(1-hydroxy-1-oxooctan-2-yl)oxyphenoxy]phenoxy]octanoic acid IUPAC Name: 2-[4-[3-chloro-4-(1-hydroxy-1-oxooctan-2-yl)oxyphenoxy]phenoxy]octanoic acid Traditional Name: 2-[4-[4-(1-carboxyheptoxy)-3-chloro-phenoxy]phenoxy]caprylic acid Formula: C28H37ClO7 MolecularWeight: 521.04218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)OC1=CC=C(C=C1)OC2=CC(=C(C=C2)OC(CCCCCC)C(=O)O)Cl

Isomeric SMILES

CCCCCCC(C(=O)O)OC1=CC=C(C=C1)OC2=CC(=C(C=C2)OC(CCCCCC)C(=O)O)Cl

InChI

InChI=1S/C28H37ClO7/c1-3-5-7-9-11-25(27(30)31)35-21-15-13-20(14-16-21)34-22-17-18-24(23(29)19-22)36-26(28(32)33)12-10-8-6-4-2/h13-19,25-26H,3-12H2,1-2H3,(H,30,31)(H,32,33)