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

Systemtic Name: 2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]dodecanoic acid Openeye Name: 2-[4-(4-benzyloxyphenyl)sulfonylphenoxy]dodecanoic acid CAS Name: 2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]dodecanoic acid IUPAC Name: 2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]dodecanoic acid Traditional Name: 2-[4-(4-benzoxyphenyl)sulfonylphenoxy]lauric acid Formula: C31H38O6S MolecularWeight: 538.69482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38O6S/c1-2-3-4-5-6-7-8-12-15-30(31(32)33)37-27-18-22-29(23-19-27)38(34,35)28-20-16-26(17-21-28)36-24-25-13-10-9-11-14-25/h9-11,13-14,16-23,30H,2-8,12,15,24H2,1H3,(H,32,33)