2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]octanoic acid

Systemtic Name: 2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]octanoic acid Openeye Name: 2-[4-(4-benzyloxyphenyl)sulfonylphenoxy]octanoic acid CAS Name: 2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]octanoic acid IUPAC Name: 2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]octanoic acid Traditional Name: 2-[4-(4-benzoxyphenyl)sulfonylphenoxy]caprylic acid Formula: C27H30O6S MolecularWeight: 482.5885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H30O6S/c1-2-3-4-8-11-26(27(28)29)33-23-14-18-25(19-15-23)34(30,31)24-16-12-22(13-17-24)32-20-21-9-6-5-7-10-21/h5-7,9-10,12-19,26H,2-4,8,11,20H2,1H3,(H,28,29)