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

Systemtic Name: 2-[2-methyl-4-[3-[3-methyl-4-(2,4,4-trimethyl-3-oxidanyl-pentyl)phenyl]pentan-3-yl]phenoxy]sulfonylethanoic acid Openeye Name: 2-[4-[1-ethyl-1-[4-(3-hydroxy-2,4,4-trimethyl-pentyl)-3-methyl-phenyl]propyl]-2-methyl-phenoxy]sulfonylacetic acid CAS Name: 2-[4-[3-[4-(3-hydroxy-2,4,4-trimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]sulfonylacetic acid IUPAC Name: 2-[4-[3-[4-(3-hydroxy-2,4,4-trimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]sulfonylacetic acid Traditional Name: 2-[4-[1-ethyl-1-[4-(3-hydroxy-2,4,4-trimethyl-pentyl)-3-methyl-phenyl]propyl]-2-methyl-phenoxy]sulfonylacetic acid Formula: C29H42O6S MolecularWeight: 518.70518

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H42O6S/c1-9-29(10-2,24-13-14-25(20(4)17-24)35-36(33,34)18-26(30)31)23-12-11-22(19(3)16-23)15-21(5)27(32)28(6,7)8/h11-14,16-17,21,27,32H,9-10,15,18H2,1-8H3,(H,30,31)