2-[2-methyl-4-[3-[3-methyl-4-(2,3,3-trimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]phenoxy]sulfonylethanoic acid

Systemtic Name: 2-[2-methyl-4-[3-[3-methyl-4-(2,3,3-trimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]phenoxy]sulfonylethanoic acid Openeye Name: 2-[4-[1-ethyl-1-[4-(2-hydroxy-2,3,3-trimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenoxy]sulfonylacetic acid CAS Name: 2-[4-[3-[4-(2-hydroxy-2,3,3-trimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]sulfonylacetic acid IUPAC Name: 2-[4-[3-[4-(2-hydroxy-2,3,3-trimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]sulfonylacetic acid Traditional Name: 2-[4-[1-ethyl-1-[4-(2-hydroxy-2,3,3-trimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenoxy]sulfonylacetic acid Formula: C28H40O7S MolecularWeight: 520.678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(C)(C(C)(C)C)O)C)C2=CC(=C(C=C2)OS(=O)(=O)CC(=O)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(C)(C(C)(C)C)O)C)C2=CC(=C(C=C2)OS(=O)(=O)CC(=O)O)C

InChI

InChI=1S/C28H40O7S/c1-9-28(10-2,22-12-14-24(20(4)16-22)35-36(32,33)17-25(29)30)21-11-13-23(19(3)15-21)34-18-27(8,31)26(5,6)7/h11-16,31H,9-10,17-18H2,1-8H3,(H,29,30)