5-[4-(hexadecylsulfonylamino)-2,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[4-(hexadecylsulfonylamino)-2,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[4-(hexadecylsulfonylamino)-2,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-(hexadecylsulfonylamino)-2,5-dimethylphenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[4-(hexadecylsulfonylamino)-2,5-dimethylphenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[4-(cetylsulfonylamino)-2,5-dimethyl-phenoxy]-2,2-dimethyl-valeric acid Formula: C31H55NO5S MolecularWeight: 553.8371

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=C(C(=C1)C)OCCCC(C)(C)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=C(C(=C1)C)OCCCC(C)(C)C(=O)O)C

InChI

InChI=1S/C31H55NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-38(35,36)32-28-24-27(3)29(25-26(28)2)37-22-20-21-31(4,5)30(33)34/h24-25,32H,6-23H2,1-5H3,(H,33,34)