2-ethyl-2-(4-methoxyphenyl)-3-(2-octan-3-ylsulfonylphenyl)butanoic acid

Systemtic Name: 2-ethyl-2-(4-methoxyphenyl)-3-(2-octan-3-ylsulfonylphenyl)butanoic acid Openeye Name: 2-ethyl-3-[2-(1-ethylhexylsulfonyl)phenyl]-2-(4-methoxyphenyl)butanoic acid CAS Name: 2-ethyl-2-(4-methoxyphenyl)-3-(2-octan-3-ylsulfonylphenyl)butanoic acid IUPAC Name: 2-ethyl-2-(4-methoxyphenyl)-3-(2-octan-3-ylsulfonylphenyl)butanoic acid Traditional Name: 2-ethyl-3-[2-(1-ethylhexylsulfonyl)phenyl]-2-(4-methoxyphenyl)butyric acid Formula: C27H38O5S MolecularWeight: 474.65262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)S(=O)(=O)C1=CC=CC=C1C(C)C(CC)(C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCCCCC(CC)S(=O)(=O)C1=CC=CC=C1C(C)C(CC)(C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C27H38O5S/c1-6-9-10-13-23(7-2)33(30,31)25-15-12-11-14-24(25)20(4)27(8-3,26(28)29)21-16-18-22(32-5)19-17-21/h11-12,14-20,23H,6-10,13H2,1-5H3,(H,28,29)