2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-3-(phenylmethyl)phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-3-(phenylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-benzyl-4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-3-(phenylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-benzyl-4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[3-benzyl-4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C27H30O7S MolecularWeight: 498.5879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(CC1=CC(=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H30O7S/c1-3-32-26(27(28)29)19-22-11-14-25(23(18-22)17-21-7-5-4-6-8-21)33-16-15-20-9-12-24(13-10-20)34-35(2,30)31/h4-14,18,26H,3,15-17,19H2,1-2H3,(H,28,29)