3-[3-butoxy-4-[3-(4-ethylsulfonyloxy-3-methoxy-phenyl)propyl]phenyl]propanoic acid

Systemtic Name: 3-[3-butoxy-4-[3-(4-ethylsulfonyloxy-3-methoxy-phenyl)propyl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[3-(4-ethylsulfonyloxy-3-methoxy-phenyl)propyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[3-(4-ethylsulfonyloxy-3-methoxyphenyl)propyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[3-(4-ethylsulfonyloxy-3-methoxyphenyl)propyl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[3-(4-esyloxy-3-methoxy-phenyl)propyl]phenyl]propionic acid Formula: C25H34O7S MolecularWeight: 478.59826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CCC(=O)O)CCCC2=CC(=C(C=C2)OS(=O)(=O)CC)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CCC(=O)O)CCCC2=CC(=C(C=C2)OS(=O)(=O)CC)OC

InChI

InChI=1S/C25H34O7S/c1-4-6-16-31-23-17-20(12-15-25(26)27)10-13-21(23)9-7-8-19-11-14-22(24(18-19)30-3)32-33(28,29)5-2/h10-11,13-14,17-18H,4-9,12,15-16H2,1-3H3,(H,26,27)