2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[4-(3-methylbutoxy)phenyl]propanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[4-(3-methylbutoxy)phenyl]propanoic acid Openeye Name: 3-(4-isopentyloxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[4-(3-methylbutoxy)phenyl]propanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[4-(3-methylbutoxy)phenyl]propanoic acid Traditional Name: 3-(4-isoamoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propionic acid Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28O6S/c1-16(2)13-14-28-19-7-5-17(6-8-19)15-22(3,21(23)24)29(25,26)20-11-9-18(27-4)10-12-20/h5-12,16H,13-15H2,1-4H3,(H,23,24)