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

Systemtic Name: 2-[4-[3-methyl-4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)oxy-phenoxy]phenoxy]octanoic acid Openeye Name: 2-[4-[4-(1-carboxyheptoxy)-3-methyl-phenoxy]phenoxy]octanoic acid CAS Name: 2-[4-[4-(1-hydroxy-1-oxooctan-2-yl)oxy-3-methylphenoxy]phenoxy]octanoic acid IUPAC Name: 2-[4-[4-(1-hydroxy-1-oxooctan-2-yl)oxy-3-methylphenoxy]phenoxy]octanoic acid Traditional Name: 2-[4-[4-(1-carboxyheptoxy)-3-methyl-phenoxy]phenoxy]caprylic acid Formula: C29H40O7 MolecularWeight: 500.6237

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H40O7/c1-4-6-8-10-12-26(28(30)31)35-23-16-14-22(15-17-23)34-24-18-19-25(21(3)20-24)36-27(29(32)33)13-11-9-7-5-2/h14-20,26-27H,4-13H2,1-3H3,(H,30,31)(H,32,33)